data_2joq_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 2joq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 4.3 Cg_exo -78.27 156.86 93.9 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 124.272 -1.137 . . . . 0.0 112.318 -0.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.7 t -166.3 159.22 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.253 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.03 124.28 23.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.015 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -111.64 143.75 42.01 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -106.68 127.08 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.9 135.66 54.46 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.833 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.89 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.9 tpp180 -102.84 118.59 37.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 25' ' ' MET . 29.8 t -119.46 108.94 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 -175.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.94 110.04 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.412 ' HG3' HG12 ' A' ' 23' ' ' VAL . 68.0 mtm -119.83 157.68 28.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.781 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -93.56 19.66 8.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.689 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.48 HG21 ' HG2' ' A' ' 84' ' ' LYS . 14.6 t -135.41 146.98 48.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.222 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -90.91 -11.67 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 171.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -85.98 79.01 9.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.456 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.414 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -89.0 100.82 13.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.555 0.693 . . . . 0.0 110.496 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -110.89 -67.99 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.713 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 m -46.6 -38.57 9.75 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.111 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.1 tp -59.89 -48.36 82.01 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.838 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 51.0 mtmt -74.88 -35.49 62.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 110.254 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -55.35 -50.97 68.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.68 -31.12 70.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.105 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD22 ' SD ' ' A' ' 64' ' ' MET . 60.5 mt -74.83 -44.78 47.38 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.181 0.515 . . . . 0.0 110.497 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 53.5 mt-10 -63.62 -26.16 68.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.114 -174.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.3 p -61.63 -26.02 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -75.77 -8.74 57.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.806 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.99 12.68 6.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.448 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -105.05 156.32 36.28 Favored Pre-proline 0 C--O 1.236 0.375 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.41 162.89 40.9 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.3 2.0 . . . . 0.0 111.849 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.09 153.44 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.99 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -99.35 123.45 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.764 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.7 119.24 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 62.9 mm-40 -128.25 155.23 44.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 0.0 111.295 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -118.64 116.97 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -85.53 -60.53 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.552 0.215 . . . . 0.0 111.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -167.57 167.72 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.27 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -131.42 147.94 52.61 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -56.75 165.12 1.27 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -65.45 -17.91 64.91 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -173.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -101.0 5.09 42.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.307 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.05 26.37 13.49 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.292 0.568 . . . . 0.0 110.586 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -87.43 -40.33 14.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.532 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' CD1' HG21 ' A' ' 86' ' ' VAL . 61.2 m-85 -113.76 122.52 47.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.877 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -105.1 118.46 36.6 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -87.07 111.98 21.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.309 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.76 148.55 26.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.274 0.559 . . . . 0.0 110.332 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -116.86 122.05 43.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.64 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -118.42 136.26 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.85 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -139.6 121.07 15.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.553 ' SD ' HD11 ' A' ' 75' ' ' ILE . 24.6 ptm -141.91 155.67 45.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.663 0.268 . . . . 0.0 110.769 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.07 120.07 20.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.12 128.24 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 29.7 t -87.51 -18.73 29.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.689 0.28 . . . . 0.0 110.865 -176.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.51 178.7 9.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 0.0 110.725 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.64 -28.91 51.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.781 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.4 t -63.04 -47.09 84.5 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 52.9 mt-10 -56.94 -46.48 82.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.987 0.422 . . . . 0.0 110.183 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.24 -34.82 61.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 41.2 m-80 -83.81 -48.41 10.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.439 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 11.6 pt-20 -60.25 -43.62 95.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 -174.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.553 HD11 ' SD ' ' A' ' 64' ' ' MET . 71.6 mt -60.01 -43.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.57 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.1 mt-30 -72.33 -35.04 68.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.026 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 79.2 mttt -67.59 -33.69 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.257 0.551 . . . . 0.0 109.69 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.51 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 72.3 mt -62.14 -29.79 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.139 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -87.1 -4.81 59.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.028 -0.42 . . . . 0.0 111.332 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 26.0 mt-30 -93.44 3.46 55.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.12 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 18.9 mt -71.14 -34.58 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.649 0.262 . . . . 0.0 110.485 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.2 t70 77.33 -36.64 0.24 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.786 0.834 . . . . 0.0 111.066 -175.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 27' ' ' THR . 3.0 mptp? -62.07 -25.86 67.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.615 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 p -76.69 131.6 34.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 57' ' ' PHE . 34.3 m -102.7 -19.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -156.57 118.67 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.584 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 p -98.31 133.23 43.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.89 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.8 mm? . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.514 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -85.34 145.34 39.74 Favored 'Cis proline' 0 C--N 1.349 0.598 0 C-N-CA 124.136 -1.193 . . . . 0.0 112.354 -1.481 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -150.12 163.64 37.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.895 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.88 103.3 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -88.53 143.8 26.74 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -107.64 132.94 52.77 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.203 0.525 . . . . 0.0 111.564 -174.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 82.7 m-85 -122.14 131.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.424 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.817 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.5 tpt180 -93.06 110.31 21.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.8 t -111.29 118.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.7 mt -110.27 109.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 39.7 mtm -117.07 149.36 40.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.301 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -86.72 42.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 HG21 ' HE3' ' A' ' 84' ' ' LYS . 10.1 t -162.51 158.24 23.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.311 -176.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -104.32 -2.48 25.48 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 171.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.94 79.94 7.52 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -86.88 101.63 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 17.9 m -130.58 -62.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.386 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.1 m -59.96 -34.94 73.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.5 tp -54.72 -48.36 72.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.698 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' ' 30' ' ' THR . 50.6 mtmt -70.05 -36.33 74.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.81 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' SER . 23.5 mm-40 -54.51 -49.46 70.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.108 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.5 pp -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.071 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD22 ' SD ' ' A' ' 64' ' ' MET . 87.7 mt -70.89 -34.03 71.16 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.012 0.434 . . . . 0.0 110.293 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.34 -26.41 60.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.936 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.5 p -61.93 -15.95 47.13 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.753 0.311 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.511 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 97.3 m-85 -92.39 -14.15 29.06 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.263 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.01 33.22 22.96 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.604 0.361 . . . . 0.0 111.583 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.7 ptp180 -124.03 150.56 63.34 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.85 147.83 75.6 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.301 2.001 . . . . 0.0 112.319 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -144.43 146.35 32.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.816 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -101.44 104.19 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.9 122.86 42.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.92 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -145.0 156.16 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.29 0.369 . . . . 0.0 110.721 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -94.55 116.54 28.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.966 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' A' ' 61' ' ' ASN . 72.9 mmtt -69.3 -81.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -157.65 176.58 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.257 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.402 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 13.2 t -132.69 146.06 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 33.1 m -64.96 175.67 1.46 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.7 -50.25 73.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -85.94 8.1 21.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.624 0.249 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.85 19.95 8.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.234 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 72.2 m-85 -113.01 125.36 54.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.039 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -113.37 121.12 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.625 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -92.27 121.2 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -108.99 162.42 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 2.3 t30 -114.76 122.46 46.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.563 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.08 118.21 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -129.72 108.16 9.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.538 ' SD ' HD11 ' A' ' 75' ' ' ILE . 22.5 ptm -136.74 150.65 48.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.626 0.25 . . . . 0.0 110.8 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 126.32 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 28.3 m -114.12 131.07 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.514 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 13.5 m -75.31 -30.19 60.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.32 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -170.95 -178.46 2.5 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.924 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HG2' ' ND2' ' A' ' 73' ' ' ASN . 37.6 tt0 -61.61 -30.66 70.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.057 -174.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 m -57.21 -38.99 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.805 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.43 -31.18 57.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.292 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 2.5 tmt_? -56.92 -42.51 80.13 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 43.6 m-80 -70.68 -45.92 64.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 39.8 tt0 -61.25 -55.85 27.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.538 HD11 ' SD ' ' A' ' 64' ' ' MET . 76.3 mt -58.1 -41.35 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.501 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -53.62 -45.09 69.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.409 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.25 -39.19 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.6 mmtp -59.42 -43.21 93.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 78.2 mt -62.01 -29.71 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.68 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -79.21 -11.92 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.347 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.84 -5.71 57.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.413 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -72.37 -37.49 68.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.115 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 72.95 -33.2 0.26 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.832 0.853 . . . . 0.0 111.365 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HE3' HG21 ' A' ' 27' ' ' THR . 15.8 mtpp -59.87 -21.55 61.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.359 0.6 . . . . 0.0 109.681 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -84.01 129.39 37.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.739 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.17 -15.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.246 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -151.86 128.04 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.675 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 p -119.21 115.79 24.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.594 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.817 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.06 150.35 73.34 Favored 'Cis proline' 0 C--N 1.353 0.813 0 C-N-CA 124.635 -0.986 . . . . 0.0 112.485 0.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 p -155.94 160.79 40.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.09 103.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -94.53 147.43 23.27 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.79 119.36 38.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 96.9 m-85 -105.0 147.49 27.75 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.89 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.851 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.1 tpp85 -125.86 113.96 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -115.64 110.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 70.9 mt -100.88 108.04 22.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 65.1 mtm -111.07 176.78 4.89 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -106.47 12.7 29.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.88 0.371 . . . . 0.0 111.434 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -141.8 158.86 43.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.427 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.5 -6.37 58.92 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.13 82.54 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.294 0.569 . . . . 0.0 109.903 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.446 ' HG1' HD21 ' A' ' 46' ' ' LEU . 3.4 t -95.04 100.08 11.97 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.54 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 22.9 t -146.47 -53.59 0.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.366 -175.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.8 m -59.9 -31.15 69.54 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.764 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.7 -44.61 93.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.253 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 50.9 mtmt -70.58 -33.81 71.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.411 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -50.88 -48.62 60.24 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -69.84 -30.43 67.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' SD ' ' A' ' 64' ' ' MET . 72.9 mt -72.56 -39.03 67.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-10 -67.75 -22.48 65.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.723 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -61.45 -30.12 70.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 110.527 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -79.96 -22.2 42.89 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.24 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 58.27 21.44 8.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.233 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.74 155.52 37.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.27 138.71 62.29 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.395 2.063 . . . . 0.0 112.259 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -148.91 151.94 35.53 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HE2' ' OG ' ' A' ' 63' ' ' SER . 37.6 ttpt -105.26 117.68 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.353 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD21 ' HG1' ' A' ' 30' ' ' THR . 1.6 tm? -88.86 112.41 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -129.83 156.25 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -173.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 91.3 t80 -124.77 114.49 19.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.223 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.2 mmpt? -83.96 -64.9 1.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -158.91 158.3 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.568 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 6.8 t -121.96 145.56 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.4 t -55.86 159.07 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.505 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.624 ' HB3' ' HZ2' ' A' ' 53' ' ' LYS . 2.5 mmmp? -56.89 -32.31 65.75 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.009 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -85.27 -8.03 58.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.816 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.58 18.58 8.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.132 -176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -87.26 -33.71 19.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -113.39 135.92 53.34 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -121.9 125.47 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.954 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -91.32 112.45 24.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.114 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 86.2 m-85 -104.48 156.42 17.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.874 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.507 ' HB3' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -131.44 129.21 40.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.1 -175.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' N ' HD21 ' A' ' 61' ' ' ASN . 96.5 t -129.95 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.195 177.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.492 ' OG ' ' HE2' ' A' ' 45' ' ' LYS . 20.5 p -111.95 122.12 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' HD21 ' A' ' 37' ' ' LEU . 22.1 ptm -143.93 146.52 33.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.394 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.0 107.88 5.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -90.02 127.87 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.347 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.3 t -61.35 -35.64 78.0 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -161.22 -173.77 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 44.7 tt0 -72.35 -38.38 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.077 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -59.62 -32.82 70.78 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.245 -0.284 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.31 -56.36 19.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 9.3 ptm180 -63.35 -14.42 49.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.846 -173.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.12 -41.32 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.714 0.292 . . . . 0.0 110.569 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 10.3 pt-20 -69.11 -45.74 69.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.929 0.395 . . . . 0.0 110.165 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.534 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 mt -60.67 -40.04 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.87 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -54.66 -39.42 68.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.761 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -73.1 -39.7 65.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HB2' HD11 ' A' ' 36' ' ' LEU . 78.5 mttt -63.78 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.086 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.611 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 81.4 mt -63.65 -29.83 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.361 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.505 ' HA ' HG12 ' A' ' 85' ' ' VAL . 51.5 p -85.9 8.7 19.24 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.876 -0.515 . . . . 0.0 111.595 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.69 1.48 56.79 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.323 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.4 mt -76.92 -23.43 52.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.5 0.191 . . . . 0.0 110.534 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 t70 73.42 -40.09 0.46 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.942 0.776 . . . . 0.0 111.184 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 82' ' ' LEU . 24.7 mttt -75.09 -6.87 51.81 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.136 0.575 . . . . 0.0 111.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 80' ' ' SER . 7.5 p -89.37 132.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.02 -28.05 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 53.9 tp60 -142.16 118.77 11.01 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.027 0.442 . . . . 0.0 110.902 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 p -104.96 126.8 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.474 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.851 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 67' ' ' SER . 73.2 m-85 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.95 160.22 95.09 Favored 'Cis proline' 0 C--N 1.351 0.696 0 C-N-CA 124.345 -1.106 . . . . 0.0 111.991 -0.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.8 t -163.59 160.8 23.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.458 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -75.52 110.68 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -93.57 141.48 28.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.37 132.75 50.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.536 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.513 ' HH ' ' HA ' ' A' ' 72' ' ' ARG . 82.3 m-85 -124.32 142.94 50.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.546 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.711 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 2.4 tpp180 -110.68 111.24 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.501 HG11 ' HG3' ' A' ' 25' ' ' MET . 41.4 t -104.89 106.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.434 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.2 mt -96.9 108.08 20.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.001 0.429 . . . . 0.0 110.237 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.501 ' HG3' HG11 ' A' ' 23' ' ' VAL . 77.9 mtp -116.57 145.4 43.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.882 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 16.9 p -82.44 -5.97 59.01 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -112.99 155.63 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -97.67 1.29 48.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.49 84.02 4.66 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 t -89.53 99.59 12.56 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.695 0.76 . . . . 0.0 109.338 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 p -137.65 -63.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.457 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -31.61 37.54 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.501 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.08 -40.32 97.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.588 ' HZ1' HD12 ' A' ' 46' ' ' LEU . 65.3 mttm -69.24 -42.07 76.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.898 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.05 -51.54 52.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.369 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 82' ' ' LEU . 3.3 pp -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.635 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.76 -40.83 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.316 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.39 -19.2 63.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.084 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -62.78 -25.53 68.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 43.9 m-85 -81.69 -4.28 55.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.662 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.45 29.86 18.88 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.259 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.511 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 10.3 ptp180 -127.71 155.88 76.5 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.561 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.41 156.39 64.38 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.473 2.115 . . . . 0.0 112.037 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.51 153.5 34.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 37.7 ttpt -107.23 106.92 17.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.588 HD12 ' HZ1' ' A' ' 34' ' ' LYS . 2.6 tt -108.9 106.59 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 63.1 mm-40 -119.52 154.99 32.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.147 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -96.79 117.56 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -76.85 -80.11 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.15 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -146.92 178.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.2 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.412 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 10.2 t -141.45 145.61 35.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.901 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -70.28 173.21 7.03 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HZ1' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -52.56 -53.41 46.76 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.218 0.607 . . . . 0.0 111.906 -175.547 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -91.74 13.88 16.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.114 0.483 . . . . 0.0 110.006 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.06 7.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.16 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' THR . 24.6 ttmm -65.33 -34.9 79.41 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -118.63 111.27 18.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.739 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -93.0 119.04 31.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.0 m -92.42 112.48 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.381 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -104.78 154.97 19.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.41 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -121.28 122.59 40.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.42 119.06 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 7.8 m -121.22 112.76 19.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.514 ' SD ' HD12 ' A' ' 75' ' ' ILE . 25.0 ptm -136.18 161.67 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 111.03 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -75.9 122.45 24.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.747 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 m -108.0 134.72 48.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 37.1 t -72.6 -51.89 17.78 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.04 -161.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.242 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 31.3 tt0 -71.46 -20.52 62.08 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.674 0.273 . . . . 0.0 111.652 -174.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -62.9 -42.85 99.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.962 0.411 . . . . 0.0 110.66 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 20.2 mp0 -64.19 -48.59 75.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -60.02 -15.46 22.83 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -174.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -93.76 -45.4 7.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.854 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 8.2 pt-20 -64.6 -43.78 92.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.933 0.396 . . . . 0.0 110.421 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.514 HD12 ' SD ' ' A' ' 64' ' ' MET . 69.5 mt -63.36 -36.23 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.287 -178.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.0 -36.73 73.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.035 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.32 -39.2 54.71 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.852 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.9 mmtp -55.21 -41.38 71.96 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.214 0.53 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.569 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.6 mt -61.33 -29.26 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.17 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -78.61 -20.36 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.53 -5.98 32.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.715 -175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.9 mt -80.85 -21.43 40.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.99 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.2 t70 71.93 -38.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.226 0.61 . . . . 0.0 111.309 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 82.5 mttt -61.1 -28.79 69.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.635 0.774 . . . . 0.0 112.037 -178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.0 p -78.1 135.88 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.664 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.19 -30.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.795 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.528 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.8 tt0 -138.42 115.18 10.69 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -102.34 123.01 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.515 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.711 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.1 mp . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -77.88 167.7 77.93 Favored 'Cis proline' 0 C--N 1.352 0.724 0 C-N-CA 124.178 -1.176 . . . . 0.0 112.421 0.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 t -161.82 153.35 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.487 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.46 102.62 3.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.197 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -92.37 132.46 36.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.07 137.34 37.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.07 0.462 . . . . 0.0 110.972 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -125.7 115.61 20.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 7.4 tpp180 -79.15 109.7 13.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.94 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.65 111.44 29.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.13 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 82' ' ' LEU . 52.7 mtm -121.86 160.64 24.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.341 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -94.45 29.05 2.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.724 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 84' ' ' LYS . 12.3 t -149.9 143.51 25.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.848 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -88.56 -11.7 44.87 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.18 79.42 6.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.907 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -90.15 107.5 19.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 31.4 p -124.76 -66.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.575 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -53.02 -33.33 51.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.074 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.3 tp -58.88 -43.21 90.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.473 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -75.48 -41.76 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.244 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 31' ' ' SER . 69.2 mm-40 -56.36 -47.53 78.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.054 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pp -62.73 -32.1 73.16 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.357 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.713 HD22 ' SD ' ' A' ' 64' ' ' MET . 85.4 mt -69.0 -40.78 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 109.993 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.43 -19.87 63.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.88 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 35' ' ' GLU . 36.1 p -64.26 -18.12 64.26 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.703 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -92.05 -7.3 49.16 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.007 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 65.32 -3.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.895 0.878 . . . . 0.0 112.715 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -88.44 152.3 49.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.67 160.07 51.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 112.774 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.59 160.3 42.39 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.074 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -117.44 111.43 19.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.333 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.43 118.32 26.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.817 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 18.3 mm-40 -120.42 124.01 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -102.6 108.12 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -86.26 -67.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.966 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -149.27 142.32 24.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 111.491 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -100.65 145.56 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 44.0 m -56.88 158.04 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.61 0.243 . . . . 0.0 111.182 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -54.97 -39.46 68.99 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.462 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -99.46 15.71 25.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.065 0.459 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.46 17.91 8.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.451 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.57 -49.62 62.3 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.711 0.291 . . . . 0.0 111.059 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 70.3 m-85 -112.78 151.84 29.86 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.078 0.466 . . . . 0.0 110.243 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.34 116.96 22.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -90.37 112.28 23.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.233 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.7 165.42 11.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.118 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.552 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 4.0 t30 -142.77 122.31 13.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.282 177.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.19 119.36 56.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -115.55 110.83 19.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.713 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.2 ptm -143.04 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.324 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.21 139.15 41.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.462 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.92 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.5 t -82.28 -31.29 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.665 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.06 177.06 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 112.101 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -60.77 -45.46 94.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.711 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -57.87 -41.21 82.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.73 -52.43 57.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.498 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -56.33 -34.93 67.04 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 -173.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.65 -37.8 26.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 24.4 tt0 -62.25 -47.12 85.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.317 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.0 mt -59.45 -40.81 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.373 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.96 -44.5 82.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.062 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.5 mt-30 -65.59 -42.98 91.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.54 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -55.56 -45.32 77.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.461 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.3 mt -62.37 -28.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.552 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.6 t -76.89 -17.31 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.8 mt-30 -85.71 -0.56 55.51 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.9 mt -73.99 -17.17 61.03 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.942 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 13.4 t70 74.38 -27.48 0.19 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.117 0.567 . . . . 0.0 111.693 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 27' ' ' THR . 31.5 mttm -89.42 -3.25 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.034 0.534 . . . . 0.0 111.741 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' A' ' 80' ' ' SER . 10.1 p -89.98 147.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.38 -23.06 2.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.468 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -160.26 137.93 9.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.737 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 11.5 p -141.4 115.76 9.46 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.0 mp . . . . . 0 C--N 1.331 -0.216 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -76.08 155.82 98.61 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 124.15 -1.187 . . . . 0.0 112.947 -0.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 45.6 t -170.36 176.91 4.29 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.32 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 69.9 mt -86.26 134.3 33.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 110.747 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.0 t-105 -125.71 129.83 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.696 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 119.02 29.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.927 0.394 . . . . 0.0 111.444 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -99.06 144.7 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.662 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.754 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.1 tpp85 -109.26 113.52 26.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.44 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.741 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.85 105.54 17.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.171 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.556 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 71.6 mtp -107.24 170.42 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.138 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -101.09 12.2 38.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.15 0.5 . . . . 0.0 110.61 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.488 HG23 ' HD3' ' A' ' 84' ' ' LYS . 15.1 t -150.91 163.89 37.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.779 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 50.3 mtmt -99.21 4.27 46.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.967 0.413 . . . . 0.0 110.143 173.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -79.28 79.8 5.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.467 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.4 t -98.2 100.57 11.88 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.628 0.728 . . . . 0.0 109.74 177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 22.7 t -126.39 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.561 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.502 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.6 m -50.59 -36.27 34.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.7 tp -58.19 -43.23 87.43 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.839 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.2 mtmt -75.41 -37.92 60.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 31' ' ' SER . 67.1 mt-10 -61.55 -44.48 96.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.026 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.0 pp -61.95 -30.53 70.98 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 34' ' ' LYS . 56.9 mt -69.61 -43.09 73.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.023 0.439 . . . . 0.0 109.828 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.08 -31.43 70.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.646 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 p -59.41 -28.02 66.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.348 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.564 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 94.1 m-85 -80.37 -4.16 52.46 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.813 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 59.78 21.85 10.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.783 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.564 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -121.34 151.42 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.61 150.19 88.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.547 2.164 . . . . 0.0 112.485 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -138.18 163.08 32.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.419 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.575 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 3.6 tmmm? -118.65 114.46 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -103.4 107.02 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.64 132.29 55.04 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -96.39 117.15 30.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -75.33 -70.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.806 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -174.59 165.24 3.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -94.92 145.38 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.18 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -64.19 162.16 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.797 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 4.7 ttmp? -65.93 -31.28 72.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 110.508 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -74.67 -11.62 60.23 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 10.31 6.4 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.281 0.633 . . . . 0.0 112.195 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -87.81 -27.4 22.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.559 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -118.89 119.47 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.94 125.87 50.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.785 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t -95.28 118.97 32.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.943 0.401 . . . . 0.0 111.313 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.431 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 96.2 m-85 -111.66 155.38 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.945 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.59 121.73 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 72.3 t -122.94 119.52 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.803 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.575 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 80.0 p -114.38 133.69 55.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.529 ' SD ' HG22 ' A' ' 75' ' ' ILE . 24.8 ptm -142.6 164.74 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.464 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 52.0 mt-10 -70.63 115.61 9.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 m -98.29 126.25 51.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.531 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . 18.0 m -75.92 -36.83 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.076 0.465 . . . . 0.0 110.524 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.58 178.56 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.958 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 43.9 tt0 -58.13 -44.57 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.191 -174.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -57.4 -35.74 70.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.531 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 33.4 mm-40 -64.49 -50.45 67.39 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.665 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.7 ptt180 -59.9 -31.07 69.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.103 -176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.1 m-20 -66.28 -57.29 7.84 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.666 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 32.4 tt0 -55.25 -50.56 69.17 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.163 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.529 HG22 ' SD ' ' A' ' 64' ' ' MET . 78.8 mt -56.81 -43.08 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.48 -41.61 85.65 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.335 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 46.2 mt-30 -67.86 -39.38 83.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.47 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.3 mmtp -58.37 -41.79 85.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.312 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.7 mt -59.8 -30.83 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.222 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.1 p -80.75 -10.12 59.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.144 -0.347 . . . . 0.0 111.783 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.11 7.85 5.64 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -82.67 -26.18 32.34 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 72.37 -39.45 0.45 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.612 0.765 . . . . 0.0 111.353 -175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HD3' HG23 ' A' ' 27' ' ' THR . 13.3 ptpt -75.09 8.07 2.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.713 0.405 . . . . 0.0 111.252 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -109.24 131.83 58.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.7 m -99.13 -35.43 4.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -140.18 133.11 29.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.942 0.401 . . . . 0.0 110.809 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.7 p -123.18 116.32 23.22 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.982 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.754 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mp . . . . . 0 C--O 1.235 0.311 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.3 Cg_exo -78.18 157.82 93.85 Favored 'Cis proline' 0 C--N 1.353 0.796 0 C-N-CA 124.26 -1.142 . . . . 0.0 112.664 1.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -165.75 158.67 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.148 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -74.29 142.32 45.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.99 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -130.07 137.94 50.47 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.99 129.88 45.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.28 0.363 . . . . 0.0 110.503 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 73.5 m-85 -117.33 119.49 35.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.865 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.659 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 16.1 tpt180 -83.47 109.73 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.09 111.56 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.353 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 60.4 mt -107.15 112.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.4 mtm -116.95 162.76 17.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.1 p -92.31 14.29 16.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.356 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -144.37 153.27 41.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 111.226 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.676 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 3.7 mmmp? -82.22 -9.84 59.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.094 173.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -76.2 79.31 3.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.285 0.564 . . . . 0.0 109.897 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 t -87.51 99.21 11.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.1 p -130.51 -66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.6 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -48.83 -36.53 17.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.738 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.9 tp -61.07 -48.89 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.892 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 mtmt -74.86 -31.05 61.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' THR . 53.7 mm-40 -55.58 -51.15 68.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 78' ' ' LYS . 2.6 pp -62.21 -30.31 71.0 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.097 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.588 HD22 ' SD ' ' A' ' 64' ' ' MET . 55.8 mt -72.79 -44.61 61.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.223 0.535 . . . . 0.0 110.418 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -67.22 -23.11 65.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.818 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 35' ' ' GLU . 77.0 p -65.63 -16.91 64.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 111.218 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -85.16 -10.15 57.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.542 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 61.85 12.41 4.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.603 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 5.1 ptp180 -99.9 155.25 36.66 Favored Pre-proline 0 C--O 1.235 0.292 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.24 146.06 39.88 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.072 . . . . 0.0 111.748 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -142.59 151.77 41.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.366 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 63' ' ' SER . 35.9 ttpt -103.75 110.07 22.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.764 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -93.13 122.7 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -124.63 139.69 53.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.654 0.264 . . . . 0.0 111.607 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -98.65 108.14 20.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.4 mmpt? -78.64 -65.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.961 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -163.83 161.43 23.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.322 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -119.8 146.85 45.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.759 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 15.1 m -56.45 160.37 3.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.298 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -65.55 -26.49 67.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.06 0.457 . . . . 0.0 110.246 -178.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.95 -12.17 60.57 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.69 20.83 10.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.058 0.543 . . . . 0.0 111.621 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -98.02 -28.96 13.54 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 65.1 m-85 -113.1 135.36 53.89 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -122.25 122.28 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -93.0 113.32 25.57 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.43 154.62 20.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.743 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.68 122.36 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.0 t -107.36 119.73 57.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.381 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 15.6 m -111.83 107.98 17.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.588 ' SD ' HD22 ' A' ' 37' ' ' LEU . 26.8 ptm -131.67 163.05 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 30.2 mt-10 -76.95 150.02 35.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 72' ' ' ARG . 15.3 m -135.76 126.76 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 19.5 t -87.35 -20.69 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.367 . . . . 0.0 110.297 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.9 p30 -146.64 179.99 7.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG3' ' NE ' ' A' ' 72' ' ' ARG . 33.4 tt0 -79.26 -30.65 43.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.853 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.452 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 27.7 m -60.71 -40.35 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.415 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.591 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 33.6 mt-10 -57.8 -55.05 39.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.152 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 6.6 ppt_? -63.87 -13.48 45.44 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -95.68 -40.55 9.33 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.957 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.591 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -70.67 -44.17 67.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.845 0.355 . . . . 0.0 110.29 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.545 HD12 ' SD ' ' A' ' 64' ' ' MET . 67.3 mt -56.26 -43.41 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.377 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.63 -38.51 69.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.585 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.21 -37.4 66.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.418 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 78.8 mttt -67.08 -34.99 78.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.927 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -62.47 -28.49 44.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.606 176.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 m -79.56 -1.15 36.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.295 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.72 1.07 48.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 1.6 mt -73.73 -24.84 59.96 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.533 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 32.1 t70 73.16 -37.0 0.37 Allowed 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.779 0.674 . . . . 0.0 111.162 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 82' ' ' LEU . 70.0 mttt -71.08 -14.41 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.265 0.626 . . . . 0.0 111.078 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.79 136.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.636 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.75 -12.34 11.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.568 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.1 tp60 -156.56 137.05 13.09 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.183 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.0 p -138.87 121.79 16.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.3 mp . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 8.6 Cg_exo -74.09 152.87 98.78 Favored 'Cis proline' 0 C--N 1.351 0.674 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.528 -1.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -161.51 161.11 29.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.3 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.7 106.66 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -91.8 147.74 22.76 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.87 138.62 39.52 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.424 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 85.2 m-85 -132.81 106.95 8.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.297 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.801 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.2 tpp180 -83.35 110.74 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.89 117.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -109.31 111.38 35.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 110.4 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.433 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 42.9 mtm -118.74 163.7 16.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.519 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -98.1 20.68 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.531 HG22 ' HE2' ' A' ' 84' ' ' LYS . 9.3 t -147.37 154.36 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.464 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -90.2 -11.63 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.715 174.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.9 79.37 3.47 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -97.31 100.64 12.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.705 0.764 . . . . 0.0 110.097 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 30.9 t -123.39 -64.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.661 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -50.29 -31.51 14.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.6 tp -59.29 -43.66 92.55 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.367 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 8.8 mtmp? -73.62 -43.43 59.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.035 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 39' ' ' THR . 12.3 mm-40 -55.44 -46.37 76.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.97 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.03 -32.16 73.46 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 HD22 ' SD ' ' A' ' 64' ' ' MET . 49.1 mt -71.32 -41.76 69.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 109.663 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.64 -22.67 63.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.027 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -63.21 -31.35 72.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 110.504 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 95.4 m-85 -74.01 -9.8 59.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.346 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 60.41 19.33 8.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.508 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 12.1 ptp180 -112.0 149.9 41.59 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.31 138.78 68.09 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.427 2.085 . . . . 0.0 112.342 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -131.94 154.41 49.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 26.4 tttm -107.37 107.82 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.958 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 tp -95.5 126.96 41.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.356 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 54.7 mm-40 -126.21 130.96 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -111.4 108.97 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.26 -65.08 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.123 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -176.71 164.43 2.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -84.37 145.56 28.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.198 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -65.75 163.6 16.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.345 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 10.3 tmtt? -57.99 -34.52 70.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.188 0.518 . . . . 0.0 109.665 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.25 -38.32 0.39 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.701 0.8 . . . . 0.0 112.408 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -57.45 -21.08 34.73 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.824 0.449 . . . . 0.0 111.66 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -113.45 143.17 44.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -128.65 131.44 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.542 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.4 m -92.81 111.54 23.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.107 0.48 . . . . 0.0 111.205 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.54 164.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.5 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.5 t30 -150.82 135.67 17.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.9 140.61 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.511 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 11.1 m -134.09 107.31 7.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.608 ' SD ' HG23 ' A' ' 75' ' ' ILE . 26.8 ptm -130.95 156.66 44.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.752 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.51 119.92 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.779 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 75' ' ' ILE . 27.7 m -106.82 128.09 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.47 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 15.7 m -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.406 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.8 p30 -166.13 -175.71 3.43 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 37.4 tt0 -58.91 -41.11 86.49 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.114 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.4 m -56.59 -41.59 77.25 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.464 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -61.0 -56.12 24.82 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.554 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.6 ptt180 -55.97 -34.29 65.57 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 -174.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -75.26 -40.32 58.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.1 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 5.8 pt-20 -71.75 -42.69 66.93 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.177 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.608 HG23 ' SD ' ' A' ' 64' ' ' MET . 73.7 mt -64.55 -40.01 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.679 -178.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -52.59 -41.01 63.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.234 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 46.2 mt-30 -73.83 -39.07 64.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -53.98 -43.09 69.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.322 0.582 . . . . 0.0 109.723 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.645 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.2 mt -65.84 -28.76 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.259 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.0 t -75.68 -19.62 59.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.853 0.359 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 23.0 mt-30 -80.71 1.61 29.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.5 mt -74.37 -20.55 60.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.802 -176.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 74.24 -34.62 0.28 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.705 0.628 . . . . 0.0 111.577 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HE2' HG22 ' A' ' 27' ' ' THR . 25.1 mtpt -78.42 -9.16 59.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.731 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 8.5 p -91.06 139.49 17.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.4 -30.48 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.326 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.01 132.92 17.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.98 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 p -122.09 116.23 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.303 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.801 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp . . . . . 0 C--N 1.331 -0.237 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -82.02 166.58 70.99 Favored 'Cis proline' 0 C--N 1.35 0.634 0 C-N-CA 123.595 -1.419 . . . . 0.0 113.222 4.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.9 t -161.08 154.94 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.112 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.78 103.43 10.61 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.2 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -91.69 142.47 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.914 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.99 129.59 51.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.79 114.93 26.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.863 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.6 tpt180 -83.24 110.03 17.73 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.424 HG11 ' HG3' ' A' ' 25' ' ' MET . 42.9 t -108.7 105.47 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.5 mt -100.7 104.71 16.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.495 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 53.1 mtm -113.92 161.9 17.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -88.83 -0.35 57.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 84' ' ' LYS . 13.5 t -130.33 153.86 48.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 51.1 mtmt -95.95 6.46 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.256 0.551 . . . . 0.0 109.713 173.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.34 75.74 2.44 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.216 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.438 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.8 t -87.21 99.25 11.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.919 0.866 . . . . 0.0 109.205 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -137.72 -59.75 0.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.866 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -52.55 -35.93 54.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.042 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.2 tp -63.84 -41.15 97.9 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.938 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 54.0 mtmt -72.07 -42.18 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.689 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 39' ' ' THR . 72.3 mm-40 -51.5 -49.05 62.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.6 pp -64.99 -32.65 74.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.579 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD23 ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -72.23 -40.53 67.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.004 0.431 . . . . 0.0 110.688 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 43.7 mt-10 -70.76 -22.46 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.986 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.5 p -58.49 -32.07 68.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.1 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HH ' ' HG2' ' A' ' 74' ' ' GLU . 62.5 m-85 -78.6 -4.7 50.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.617 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 56.9 23.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.735 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 7.4 ptp180 -111.56 156.97 40.55 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.58 144.51 60.84 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.479 2.12 . . . . 0.0 112.37 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -147.62 155.96 42.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.984 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.546 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 85.2 tttt -115.68 123.07 47.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.413 HD21 HG23 ' A' ' 30' ' ' THR . 55.7 tp -103.26 116.05 31.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -125.95 149.54 48.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 111.778 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -105.38 110.3 22.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.0 mmpt? -82.95 -71.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.019 -175.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -142.57 176.86 8.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -147.25 145.14 29.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.805 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.3 t -61.35 158.92 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.783 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -29.43 70.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.969 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -89.01 -2.67 58.69 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.71 17.08 8.38 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.479 0.711 . . . . 0.0 112.337 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -77.21 -29.73 54.37 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.013 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -112.93 116.19 29.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.412 -175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -106.04 115.16 29.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -90.56 112.87 24.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.413 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-85 -104.73 161.05 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.928 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.48 122.45 20.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.66 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 86.5 t -115.92 119.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.226 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.546 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 69.8 p -107.26 111.44 23.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.548 ' SD ' HD23 ' A' ' 37' ' ' LEU . 23.4 ptm -139.47 162.84 34.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.277 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.485 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 38.6 mt-10 -77.43 148.82 35.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.69 126.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.3 t -89.53 -27.91 19.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.298 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.5 HD21 ' N ' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -154.28 170.83 20.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.698 176.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.222 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.2 t -52.6 -39.77 61.98 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.129 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -76.08 -42.45 47.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.2 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 tmm_? -56.78 -34.77 67.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.048 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -82.93 -53.42 5.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.9 tt0 -53.85 -50.34 66.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -175.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 79' ' ' ILE . 84.5 mt -60.06 -43.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.372 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.53 -35.22 70.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.364 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -76.35 -38.75 55.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.583 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.0 mmtp -56.93 -43.85 81.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.267 0.555 . . . . 0.0 110.065 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.576 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.3 mt -63.46 -29.2 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.519 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.508 ' HA ' HG11 ' A' ' 85' ' ' VAL . 63.0 p -81.59 -17.34 48.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.105 -0.372 . . . . 0.0 111.411 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 24.7 mt-30 -78.75 1.56 22.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.651 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 7.7 mt -78.06 -26.5 48.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.535 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.9 t70 72.57 -32.13 0.24 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.2 mttt -66.6 -20.52 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.493 0.717 . . . . 0.0 110.843 176.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' A' ' 80' ' ' SER . 13.5 p -88.49 141.69 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.996 -176.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.05 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.252 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -148.98 137.3 20.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.737 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -129.91 127.15 39.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.16 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.863 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.271 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.578 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 85.4 Cg_endo -85.08 160.38 64.9 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.564 -1.431 . . . . 0.0 113.286 0.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -162.39 158.33 23.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.251 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -73.34 110.36 7.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -91.96 134.36 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -95.72 118.66 32.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.325 . . . . 0.0 110.657 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -109.4 145.46 36.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.957 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.756 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 15.7 tpp85 -116.48 113.55 22.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.506 HG12 ' HG3' ' A' ' 25' ' ' MET . 23.0 t -110.83 103.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -173.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.428 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 69.6 mt -92.54 105.18 16.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 0.0 110.115 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.506 ' HG3' HG12 ' A' ' 23' ' ' VAL . 82.0 mtp -108.0 153.53 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.437 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 p -93.29 21.18 6.26 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.129 0.49 . . . . 0.0 110.839 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 84' ' ' LYS . 15.4 t -155.65 146.77 22.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 9.4 mtmp? -89.08 -1.48 58.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.707 172.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -76.83 72.36 3.42 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.512 0.672 . . . . 0.0 109.334 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -87.07 124.9 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.108 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -145.17 -70.62 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.114 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.52 ' HB ' HD23 ' A' ' 82' ' ' LEU . 1.3 m -51.33 -32.82 26.77 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.4 tp -57.42 -45.81 84.22 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.966 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.03 -40.5 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -58.09 -43.92 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -65.27 -31.37 72.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 110.422 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.625 HD21 ' SD ' ' A' ' 64' ' ' MET . 61.2 mt -71.47 -40.41 70.28 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.337 0.589 . . . . 0.0 110.161 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -60.94 -27.11 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.918 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.9 p -61.81 -24.51 66.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -84.04 -7.65 59.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 57.34 27.46 13.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.567 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.5 ptp180 -119.15 153.46 53.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.725 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.01 155.09 57.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -147.85 156.87 43.17 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -101.28 117.74 35.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.617 177.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -109.31 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.051 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -138.91 155.52 48.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -103.48 128.63 50.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.513 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -81.87 -77.45 0.22 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -172.47 152.29 2.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.7 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.555 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -92.19 136.93 32.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.9 m -64.42 87.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.34 -176.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.674 ' HG3' ' H ' ' A' ' 54' ' ' ASN . 10.0 ptpp? 35.08 -71.23 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.334 1.454 . . . . 0.0 114.489 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.674 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 60.8 t30 -66.34 -9.75 36.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.932 0.493 . . . . 0.0 111.026 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 73.26 14.77 4.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.71 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -76.59 -28.75 56.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.55 137.13 54.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -117.01 116.52 27.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -90.01 114.87 26.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.054 0.454 . . . . 0.0 110.466 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.428 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 94.6 m-85 -104.9 159.51 15.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.679 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -131.32 122.56 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.029 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.21 118.87 57.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.149 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -111.82 107.15 16.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.656 ' SD ' HD11 ' A' ' 75' ' ' ILE . 24.0 ptm -129.31 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.405 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 32.5 mt-10 -70.56 143.21 51.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.12 126.94 67.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 167.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 t -96.54 -11.23 25.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.716 0.293 . . . . 0.0 110.431 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 7.8 p30 -159.7 179.44 8.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.253 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.25 -30.08 48.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.463 -173.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 34.4 t -59.12 -44.47 92.02 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.29 -42.33 98.47 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.354 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -54.31 -51.95 63.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 53.9 m-80 -72.23 -35.32 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.994 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 31.0 tt0 -66.3 -52.54 46.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.656 HD11 ' SD ' ' A' ' 64' ' ' MET . 89.6 mt -57.94 -41.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.844 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.84 -40.36 69.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 74.6 mt-30 -70.97 -43.44 68.08 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.474 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 35.6 mmtp -55.12 -43.31 73.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.185 0.517 . . . . 0.0 110.539 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.7 mt -60.79 -29.26 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.148 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -82.75 -3.03 55.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.612 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -93.19 1.14 57.24 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.2 mt -76.63 -23.34 53.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.071 -175.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.7 t70 73.24 -40.64 0.48 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.178 0.591 . . . . 0.0 110.527 -172.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 82' ' ' LEU . 92.8 mttt -58.29 -28.4 64.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.305 0.642 . . . . 0.0 111.427 177.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 11.5 p -84.41 140.4 16.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.36 -27.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.876 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.428 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.4 tp60 -141.14 122.54 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.2 p -112.68 127.44 56.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.337 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.3 mp . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.401 ' OH ' ' HD3' ' A' ' 72' ' ' ARG . 96.4 m-85 . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.5 Cg_endo -75.14 157.8 99.23 Favored 'Cis proline' 0 C--N 1.354 0.861 0 C-N-CA 123.926 -1.281 . . . . 0.0 113.339 0.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -171.06 163.34 7.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.91 138.2 39.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.431 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -120.88 139.19 53.54 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.15 119.19 32.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.649 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -110.75 138.46 47.12 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.739 0.416 . . . . 0.0 110.56 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.686 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.3 tpp180 -111.16 110.94 21.68 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.91 108.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.779 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.51 111.21 31.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.492 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 79.5 mtp -115.24 165.47 12.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -98.49 14.62 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -157.62 161.22 38.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 47.0 mtpt -97.66 -8.36 28.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.114 0.483 . . . . 0.0 109.916 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.11 79.45 5.51 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.421 ' O ' HG21 ' A' ' 30' ' ' THR . 9.7 t -111.95 104.17 12.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.587 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 26.2 m -112.15 -49.04 2.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.226 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 m -54.29 -35.85 63.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.123 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.388 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 48.4 mtmt -66.35 -45.37 80.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' HG21 ' A' ' 39' ' ' THR . 46.6 mt-10 -54.03 -47.37 71.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.842 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -66.61 -33.13 74.98 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.673 HD22 ' SD ' ' A' ' 64' ' ' MET . 84.4 mt -69.88 -39.11 76.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.9 mt-10 -71.08 -22.35 62.12 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.091 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.44 HG21 ' O ' ' A' ' 35' ' ' GLU . 82.7 p -63.64 -23.2 67.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.924 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE2' HG12 ' A' ' 75' ' ' ILE . 86.3 m-85 -82.94 -8.06 59.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.56 22.28 13.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 8.8 ptp180 -118.61 156.05 51.76 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.98 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.17 158.51 54.67 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.626 2.218 . . . . 0.0 112.677 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.25 173.36 16.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -114.96 143.2 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.511 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.8 tp -127.53 106.37 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.38 120.36 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 111.159 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.78 127.2 32.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.064 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -90.61 -73.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.667 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -155.66 148.55 24.32 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.891 0.377 . . . . 0.0 110.771 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.1 t -87.54 146.54 25.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 35.8 t -59.29 170.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.36 -47.35 75.9 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.547 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -82.93 1.66 38.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.2 9.41 4.75 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -86.2 -22.67 26.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.145 0.498 . . . . 0.0 110.837 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 71.1 m-85 -112.74 145.74 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -129.21 118.47 22.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.834 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -87.05 113.3 22.69 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.964 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.421 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 90.8 m-85 -105.07 157.51 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.237 0.541 . . . . 0.0 110.164 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -117.67 121.58 41.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.48 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.87 119.39 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 p -128.23 123.98 35.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.673 ' SD ' HD22 ' A' ' 37' ' ' LEU . 21.0 ptm -146.59 160.23 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.14 145.94 33.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -126.04 127.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 42.2 m -83.96 -27.24 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.404 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.1 p30 -141.78 178.16 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.298 176.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG3' ' NH1' ' A' ' 72' ' ' ARG . 36.0 tt0 -78.95 -32.88 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.833 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.404 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 13.4 m -56.93 -37.91 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.107 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.5 -39.56 88.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' NH1' ' HG3' ' A' ' 69' ' ' GLU . 42.6 ttp180 -54.66 -50.47 68.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.191 0.52 . . . . 0.0 110.347 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 7.1 m-20 -70.37 -43.93 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.258 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -51.22 -59.22 4.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.445 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.507 HD11 ' SD ' ' A' ' 64' ' ' MET . 69.7 mt -60.71 -38.39 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.23 -45.21 88.12 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.522 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 47.1 mt-30 -63.75 -44.51 93.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.216 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -60.3 -43.76 96.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.238 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.4 mt -58.71 -29.68 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.275 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -85.56 7.5 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.445 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -103.69 7.46 37.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 3.9 mt -72.1 -20.23 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.154 -0.342 . . . . 0.0 110.545 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 19.2 t70 73.31 -42.93 0.54 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.999 0.812 . . . . 0.0 110.348 -172.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.9 mttt -63.15 -25.87 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 9.0 p -82.79 127.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.367 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.4 m -103.48 -16.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.481 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -153.85 135.92 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.974 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -131.85 111.2 11.39 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.373 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.686 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.1 mm? . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.452 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 96.1 Cg_endo -80.84 164.89 77.44 Favored 'Cis proline' 0 C--N 1.356 0.946 0 C-N-CA 123.943 -1.274 . . . . 0.0 112.991 1.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -155.36 149.09 25.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.231 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.74 103.44 6.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.661 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -98.65 146.11 26.18 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.293 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -104.09 141.3 36.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 74.1 m-85 -128.33 116.98 20.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.175 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.66 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 4.3 tpp180 -80.69 110.98 16.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.3 t -112.09 107.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 -176.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.0 mt -99.3 109.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.3 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.534 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 78.8 mtp -114.17 150.58 33.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 23.3 p -88.37 33.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 110.883 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.543 HG22 ' HE3' ' A' ' 84' ' ' LYS . 8.7 t -156.9 156.05 32.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -93.24 -9.74 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 171.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -87.24 83.74 7.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.277 0.561 . . . . 0.0 109.997 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.593 ' HG1' HD21 ' A' ' 33' ' ' LEU . 4.6 t -84.2 99.33 10.46 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 p -111.94 -77.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.417 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.481 ' HB ' HD23 ' A' ' 82' ' ' LEU . 6.7 m -51.21 -30.96 18.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 -177.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.593 HD21 ' HG1' ' A' ' 30' ' ' THR . 52.4 tp -59.07 -53.5 57.63 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' A' ' 30' ' ' THR . 54.4 mtmt -66.07 -38.18 87.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.474 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 31' ' ' SER . 45.5 mm-40 -56.15 -51.0 69.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -66.41 -31.93 73.0 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -176.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD21 ' SD ' ' A' ' 64' ' ' MET . 95.3 mt -65.06 -42.18 94.43 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.963 0.411 . . . . 0.0 110.624 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 48.7 mt-10 -67.29 -24.77 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.874 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 p -64.48 -18.68 65.01 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.651 0.262 . . . . 0.0 111.517 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -82.37 -4.96 58.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.125 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 61.86 17.71 9.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.3 ptp180 -115.07 154.79 47.18 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.16 147.58 67.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.384 2.056 . . . . 0.0 112.1 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -137.65 172.92 12.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.444 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 58.9 tptt -135.61 122.6 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.65 107.4 16.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -119.45 129.16 54.62 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.743 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.408 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 86.1 t80 -84.81 107.66 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -86.94 -53.42 4.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -155.45 163.7 39.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.007 -173.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.408 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 15.1 t -128.08 145.61 50.94 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.763 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 16.5 t -62.19 160.12 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -62.13 -33.87 75.29 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -79.21 -10.05 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.306 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.23 17.51 4.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.225 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' THR . 39.3 ttmt -95.45 -26.4 15.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.488 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 78.5 m-85 -113.4 118.51 34.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.769 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -109.44 127.83 54.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.211 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -91.86 112.24 24.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.962 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -105.79 151.15 24.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.412 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -120.64 121.28 37.98 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 88.2 t -107.48 119.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.769 177.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -119.2 114.36 22.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.91 0.386 . . . . 0.0 110.069 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.572 ' SD ' HD21 ' A' ' 37' ' ' LEU . 23.9 ptm -140.99 165.54 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.883 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 35.1 mt-10 -73.67 150.97 40.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.895 0.378 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.45 126.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 167.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 38.5 t -90.49 -33.97 15.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.138 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.3 p30 -130.63 173.86 10.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.207 0.527 . . . . 0.0 110.596 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.617 ' HG3' HH21 ' A' ' 72' ' ' ARG . 45.0 tt0 -79.13 -26.96 42.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.601 -175.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.443 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 22.6 t -64.59 -39.46 93.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.412 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.67 -38.61 75.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.647 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.617 HH21 ' HG3' ' A' ' 69' ' ' GLU . 13.0 ttp180 -59.65 -26.73 65.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.57 -45.44 10.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.085 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 33.9 tt0 -58.93 -56.24 24.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.101 -178.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.1 mt -56.96 -41.46 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.444 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.56 -43.37 75.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.503 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 26.5 mt-30 -69.17 -41.43 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.72 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 75.8 mmtt -56.34 -42.06 77.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 109.999 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.1 mt -62.83 -29.42 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.988 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 t -77.96 -21.58 50.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.1 mt-30 -71.23 -10.37 59.65 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.772 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -67.48 -35.53 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.393 -176.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.4 t70 73.18 -37.65 0.39 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.496 0.719 . . . . 0.0 111.167 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.543 ' HE3' HG22 ' A' ' 27' ' ' THR . 14.2 mtpp -57.37 -27.18 62.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 175.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 8.9 p -84.35 139.96 16.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.606 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 m -109.45 -24.82 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -141.43 119.35 11.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.5 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.8 p -112.01 122.74 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.203 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.66 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 6.7 mp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.433 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 . . . . . 0 C--O 1.233 0.233 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 83.0 Cg_endo -78.28 163.54 86.78 Favored 'Cis proline' 0 C--N 1.352 0.736 0 C-N-CA 123.653 -1.394 . . . . 0.0 113.031 1.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -167.54 165.36 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.348 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -83.77 106.94 15.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.434 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -96.67 143.59 27.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.108 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -98.09 137.28 37.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -124.02 119.89 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.137 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.841 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 9.8 tpt180 -82.92 109.41 17.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 t -109.29 104.26 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.23 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -101.2 102.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.873 0.368 . . . . 0.0 110.493 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 52.1 mtm -112.59 157.44 21.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -94.91 32.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.569 HG21 ' HE2' ' A' ' 84' ' ' LYS . 8.8 t -153.32 155.28 36.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.335 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HZ3' ' HB3' ' A' ' 28' ' ' LYS . 3.4 mmmp? -93.97 -9.27 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.59 85.8 6.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.043 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 3.8 t -93.02 100.36 12.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -125.89 -64.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.835 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -52.39 -35.14 50.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.875 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 60.2 tp -58.39 -54.51 46.19 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.544 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 30' ' ' THR . 52.2 mtmt -64.42 -39.79 94.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 39' ' ' THR . 78.0 mm-40 -54.66 -48.81 71.88 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 78' ' ' LYS . 1.6 pp -64.57 -32.75 74.53 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD23 ' SD ' ' A' ' 64' ' ' MET . 65.2 mt -68.9 -41.73 77.86 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.351 0.596 . . . . 0.0 110.21 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.8 mt-10 -74.62 -20.35 59.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.001 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 35' ' ' GLU . 51.8 p -63.36 -28.24 69.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 111.108 177.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.09 -9.59 58.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.053 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 60.79 28.29 18.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.988 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.563 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 5.6 ptp180 -114.72 157.47 42.91 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.174 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.39 158.17 54.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 0.0 111.767 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -153.11 163.54 39.67 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.211 0.529 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 38.2 ttpt -115.51 103.68 10.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.521 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -91.16 120.15 31.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.86 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -126.41 140.88 52.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.847 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -109.18 107.98 18.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.1 -67.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.995 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 51' ' ' THR . 41.2 t-20 -170.63 157.05 5.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.574 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -89.08 145.52 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' ASN . 31.9 m -69.27 86.26 0.4 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.268 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 10.4 mtmp? 47.0 -82.36 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.411 1.085 . . . . 0.0 113.263 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' SER . 60.1 t30 -82.26 23.94 0.7 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 111.366 -172.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.574 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 59.76 20.63 9.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.86 -40.1 75.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.573 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -132.87 151.04 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -117.99 114.84 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -87.91 112.14 22.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.411 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.51 158.1 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.511 173.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.92 122.14 20.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.09 119.49 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.9 m -107.25 109.31 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.562 ' SD ' HD23 ' A' ' 37' ' ' LEU . 25.8 ptm -134.62 160.49 37.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 26.9 mt-10 -73.21 146.02 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 17.6 m -134.12 127.48 51.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 36.0 t -81.41 -24.41 36.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -177.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -162.59 176.09 10.74 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.168 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 35.2 tt0 -65.81 -31.07 71.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -57.1 -42.46 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.346 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.94 -48.01 67.1 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.273 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 8.6 ptm180 -59.35 -35.96 74.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.599 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 80.6 m-20 -73.04 -43.07 62.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.205 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.18 -53.3 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.176 0.512 . . . . 0.0 110.25 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 HG23 ' SD ' ' A' ' 64' ' ' MET . 63.8 mt -58.54 -45.66 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.599 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.87 -39.24 62.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.128 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.2 mt-30 -71.49 -42.96 67.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.232 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.47 ' HB2' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt -64.17 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 73.2 mt -59.98 -29.16 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.441 ' HA ' HG13 ' A' ' 85' ' ' VAL . 22.8 t -84.43 -18.53 35.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 27.6 mt-30 -79.61 7.16 8.85 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.979 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 9.6 mt -78.1 -25.15 47.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.1 t70 74.39 -36.95 0.34 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.619 0.767 . . . . 0.0 111.273 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 27' ' ' THR . 26.9 mtpt -68.06 -12.65 61.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.183 0.516 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.6 p -95.47 135.09 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.609 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.4 -27.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -151.12 128.83 11.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.82 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 p -120.59 118.16 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.249 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.841 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -80.3 161.79 84.14 Favored 'Cis proline' 0 C--N 1.351 0.675 0 C-N-CA 123.67 -1.388 . . . . 0.0 112.995 1.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -164.93 163.84 20.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.594 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.17 103.39 11.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.839 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -93.8 140.59 29.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.92 137.07 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.842 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 98.5 m-85 -123.18 115.93 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.879 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.898 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 14.2 tpt180 -84.19 112.03 19.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 t -120.25 140.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 55.3 mt -133.93 122.15 41.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 172.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.5 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 68.9 mtm -126.59 161.68 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -92.92 12.8 22.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.634 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -134.85 140.7 46.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.066 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -82.37 -16.96 47.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -87.29 92.99 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.656 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.555 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 4.9 t -103.4 101.19 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.894 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.9 m -104.33 -60.8 1.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.991 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -49.37 -42.11 41.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' HB3' ' OG1' ' A' ' 30' ' ' THR . 9.7 tt -61.15 -38.39 86.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.494 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 10.4 mtmp? -75.04 -38.37 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.632 0.253 . . . . 0.0 110.365 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 31' ' ' SER . 30.7 mm-40 -57.28 -46.79 82.78 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 78' ' ' LYS . 4.3 pp -65.18 -31.05 72.04 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.48 -39.93 64.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.094 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 61.3 mm-40 -61.56 -30.53 70.71 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.33 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -67.04 -11.79 58.06 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.96 -9.68 42.13 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 54.62 36.62 26.43 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.772 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -129.6 154.92 80.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.19 154.41 72.38 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.283 1.989 . . . . 0.0 111.949 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -155.14 149.94 26.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.137 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 56.3 tttp -96.62 103.17 15.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 tp -86.34 106.23 17.24 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 20.5 mm-40 -109.42 141.41 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.783 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 58' ' ' TYR . 82.2 t80 -111.41 106.81 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 166.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 61' ' ' ASN . 75.3 mmtt -84.34 -44.94 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.257 -171.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -171.15 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.663 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -127.16 146.44 50.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 p -56.99 155.7 7.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.31 -29.42 70.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.664 0.269 . . . . 0.0 111.13 -175.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -78.54 -10.0 59.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 63.47 28.24 15.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.045 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -102.76 -23.3 13.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.604 176.33 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -116.71 114.75 24.46 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.071 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.401 ' HB3' ' HE1' ' A' ' 48' ' ' PHE . 40.5 m-85 -104.46 123.94 48.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.283 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -94.87 113.04 24.73 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 111.09 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -105.08 163.97 12.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.539 176.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 6.3 t30 -145.91 123.27 11.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 59.4 t -102.16 119.22 50.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 15.7 m -113.41 105.74 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.419 ' SD ' HD12 ' A' ' 75' ' ' ILE . 25.7 ptm -134.66 153.45 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 -173.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.13 117.41 14.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.582 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.5 m -105.77 127.57 60.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 22.1 t -85.46 -22.96 28.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -155.98 -179.07 7.78 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.47 -29.84 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.184 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -63.19 -31.51 72.68 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.1 mt-10 -69.05 -45.29 70.78 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.831 173.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -54.19 -53.3 55.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.73 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -59.67 -35.11 73.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 28.4 tt0 -68.51 -48.15 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 71' ' ' GLU . 70.1 mt -62.07 -37.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.607 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -58.82 -45.03 90.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.8 mt-30 -64.04 -43.54 95.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.307 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.512 ' HB3' HD23 ' A' ' 36' ' ' LEU . 74.1 mmtt -53.09 -47.24 68.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.196 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -63.76 -29.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.879 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 t -80.64 -10.26 59.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.833 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.9 mt-30 -88.1 -9.54 52.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt -70.38 -26.62 63.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.749 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.1 t70 73.02 -34.59 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.627 0.58 . . . . 0.0 111.155 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 82' ' ' LEU . 81.7 mttt -68.54 -11.85 60.47 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.382 0.673 . . . . 0.0 111.37 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.5 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 14.8 p -84.97 142.13 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.939 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.4 -2.49 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.6 tp-100 -159.1 127.65 5.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.013 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 p -133.1 112.79 12.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.32 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.898 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.4 mp . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.8 Cg_endo -80.2 163.49 82.08 Favored 'Cis proline' 0 C--N 1.351 0.689 0 C-N-CA 123.715 -1.369 . . . . 0.0 112.755 -0.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 51.4 t -172.09 164.9 6.18 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.112 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 62.2 mt -70.68 109.73 5.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.177 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -94.0 128.1 40.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -98.58 124.26 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.153 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 63.7 m-85 -100.48 135.48 41.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.186 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.81 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.5 tpt180 -92.53 109.07 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 25' ' ' MET . 40.1 t -112.02 131.63 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -118.91 107.82 22.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.236 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.419 ' HG3' HG11 ' A' ' 23' ' ' VAL . 80.6 mtp -115.77 159.2 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 p -96.48 14.63 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.499 HG23 ' HE3' ' A' ' 84' ' ' LYS . 11.2 t -138.6 157.28 46.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -175.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -97.81 -7.47 30.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.979 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.89 100.2 9.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.979 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' THR . 9.1 t -130.41 100.48 5.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.857 0.837 . . . . 0.0 110.549 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 35.5 t -98.05 -43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.642 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.7 m -54.89 -29.1 55.0 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 82' ' ' LEU . 39.5 tp -61.07 -45.35 95.11 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.386 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -73.85 -33.53 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.2 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' SER . 19.0 mm-40 -56.07 -47.73 77.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.0 pp -65.55 -30.62 71.39 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -74.25 -35.66 63.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.62 -25.0 67.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -62.16 -36.55 82.19 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 110.097 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 87.9 m-85 -80.95 -27.74 35.93 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 57.33 31.78 20.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.557 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -110.43 150.07 41.11 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.35 137.87 83.58 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.674 2.249 . . . . 0.0 112.015 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -144.52 150.55 37.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 36.3 ttpt -112.41 114.71 27.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 tt -109.12 107.1 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 13.2 mm-40 -125.04 154.52 41.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.266 -173.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -92.99 108.44 20.0 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 68.9 mmtt -74.85 -61.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.262 -176.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -166.57 170.23 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.652 -173.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -142.82 145.98 33.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -57.71 150.5 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -53.98 -33.64 57.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -76.4 -15.02 60.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 26.61 12.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.472 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -89.33 -36.64 15.42 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.3 124.22 51.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.206 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -110.79 131.78 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.033 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -100.88 113.32 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -104.9 165.8 10.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.318 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.9 t30 -124.23 128.67 49.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.582 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.75 118.45 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 33.0 m -126.41 106.88 9.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 75' ' ' ILE . 23.4 ptm -135.31 151.93 51.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.199 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.05 115.59 8.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.38 127.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 6.6 m -61.75 -44.73 96.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.555 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.53 -167.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.987 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.0 -33.72 67.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.681 0.277 . . . . 0.0 111.415 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 t -56.33 -47.6 78.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.96 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 11.9 mp0 -66.37 -50.13 64.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.002 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -62.72 -14.89 49.76 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.055 -177.207 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -85.74 -48.15 9.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.517 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 13.8 pt-20 -64.62 -44.49 90.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.784 -176.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 64' ' ' MET . 64.1 mt -62.88 -40.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.661 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.82 -38.45 67.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.434 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 74' ' ' GLU . 47.5 mt-30 -71.17 -37.18 72.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.706 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 70.4 mmtt -60.23 -37.71 81.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.117 0.485 . . . . 0.0 109.92 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.3 mm -60.05 -29.3 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.103 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.1 t -77.3 -19.3 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.64 6.13 21.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.1 mt -79.28 -20.66 47.47 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.8 t70 75.82 -32.87 0.21 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.834 0.709 . . . . 0.0 111.661 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HE3' HG23 ' A' ' 27' ' ' THR . 8.6 mtpp -86.89 6.08 33.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.934 0.397 . . . . 0.0 111.148 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 133.11 49.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.454 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -99.13 -33.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.301 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.475 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.3 tp-100 -139.96 136.79 34.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -127.75 120.97 29.08 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.81 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 mp . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.549 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.1 Cg_exo -79.77 146.35 75.44 Favored 'Cis proline' 0 C--N 1.351 0.704 0 C-N-CA 123.988 -1.255 . . . . 0.0 112.211 -1.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 49.9 t -159.39 173.71 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -81.81 123.53 28.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.627 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -106.79 141.78 37.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.7 119.03 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.666 -175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.91 124.52 52.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.022 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.654 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 19.1 tpp85 -98.15 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.5 116.8 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.507 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.9 mt -106.89 116.47 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 65.5 mtm -121.33 166.87 13.44 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -98.72 16.4 22.24 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.16 0.505 . . . . 0.0 111.07 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -135.34 159.01 42.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.657 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -90.8 -14.69 31.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 170.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.79 85.11 4.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -91.78 99.75 12.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.346 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 15.0 m -128.25 -64.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.638 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -49.5 -36.74 23.97 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.155 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 56.3 tp -59.54 -42.33 92.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HA ' HD11 ' A' ' 37' ' ' LEU . 52.5 mtmt -75.25 -34.23 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.69 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' HG21 ' A' ' 39' ' ' THR . 15.2 mm-40 -55.82 -51.2 68.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.79 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.9 pp -62.23 -31.04 71.53 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.517 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.507 HD23 ' SD ' ' A' ' 64' ' ' MET . 72.1 mt -69.73 -42.65 73.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.18 -23.22 61.24 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.991 -175.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 35' ' ' GLU . 68.7 p -64.37 -21.3 66.58 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.053 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -84.04 -9.05 58.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.633 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 60.57 33.06 20.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.494 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 16.3 ptp180 -123.98 153.78 67.69 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.85 154.49 70.94 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.456 2.104 . . . . 0.0 112.444 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -148.75 160.2 43.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.838 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 4.1 tmmm? -117.27 110.75 18.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -95.29 134.47 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 156.4 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.644 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -109.12 135.87 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mmpm? -105.05 -73.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.485 0.184 . . . . 0.0 111.132 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -146.19 167.29 23.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -131.29 146.88 52.49 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.269 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.0 t -62.45 165.03 6.56 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.423 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -56.99 -40.36 76.43 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.66 9.62 31.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.93 26.13 12.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.381 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HA ' ' HZ2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -80.47 -28.71 37.5 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 -179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.75 138.85 54.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.235 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -123.49 122.11 37.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -97.85 114.59 26.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.888 0.375 . . . . 0.0 110.754 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.35 145.07 31.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.547 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -107.05 122.48 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.562 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 HD21 ' A' ' 33' ' ' LEU . 67.1 t -124.83 119.74 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 41.8 p -120.73 119.47 32.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.5 ptm -137.77 162.72 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.396 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.75 143.46 47.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -134.01 128.11 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.218 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 28.2 t -85.69 -27.92 25.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -152.6 -179.69 7.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.08 0.467 . . . . 0.0 111.312 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -75.02 -28.56 60.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.539 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 -39.82 83.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.353 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 74' ' ' GLU . 79.5 mt-10 -72.68 -27.25 61.97 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -56.13 -45.08 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 109.502 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.6 m-20 -77.91 -38.8 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 71' ' ' GLU . 13.4 tp10 -56.54 -58.68 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.974 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 64' ' ' MET . 65.9 mt -63.14 -35.43 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.505 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -55.85 -46.07 78.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.267 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.6 mt-30 -63.47 -43.49 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.462 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -55.48 -44.62 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.76 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.9 mt -62.64 -29.35 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.841 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.9 p -85.29 3.21 40.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.817 -0.552 . . . . 0.0 111.728 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 21.2 mt-30 -100.28 14.99 29.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.575 0.226 . . . . 0.0 111.135 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 32.9 mt -82.64 -23.0 34.48 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -175.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 73.36 -47.49 0.66 Allowed 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.656 0.598 . . . . 0.0 110.897 -174.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -63.0 -23.99 67.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.212 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 12.5 p -79.01 140.98 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.365 -175.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.16 -22.52 4.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.062 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.507 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.5 tp-100 -141.89 132.32 25.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 110.358 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.463 HG22 HG23 ' A' ' 79' ' ' ILE . 16.4 p -126.92 110.05 12.6 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.091 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.654 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--O 1.235 0.341 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.59 155.22 76.3 Favored 'Cis proline' 0 C--N 1.351 0.666 0 C-N-CA 124.374 -1.094 . . . . 0.0 112.297 -1.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -160.8 158.96 29.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.568 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.72 103.84 1.5 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.887 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -96.74 141.92 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.36 130.78 42.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 111.418 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -124.26 109.49 13.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.664 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.788 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 12.6 tpp85 -88.24 113.91 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 HG22 HG21 ' A' ' 79' ' ' ILE . 35.8 t -107.35 129.52 61.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.456 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.9 mt -121.44 112.52 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.439 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 65.7 mtm -119.56 171.82 8.09 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.381 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -95.74 19.24 11.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.019 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.454 HG23 ' HD3' ' A' ' 84' ' ' LYS . 15.0 t -148.06 161.9 40.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -91.15 -10.74 40.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.753 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.63 86.3 3.95 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.828 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.511 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.1 t -94.98 99.72 11.69 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 32.5 t -124.77 -62.65 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.106 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.424 ' HB ' HD21 ' A' ' 82' ' ' LEU . 5.5 m -49.06 -36.49 18.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.771 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.531 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -58.59 -49.43 77.48 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.347 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' HE2' ' O ' ' A' ' 30' ' ' THR . 51.6 mtmt -63.17 -45.74 90.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 31' ' ' SER . 24.4 mm-40 -52.44 -51.18 60.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.269 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 78' ' ' LYS . 3.6 pp -66.08 -31.05 71.69 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.644 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.0 mt -70.56 -40.3 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.462 . . . . 0.0 110.438 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 37.0 mt-10 -72.18 -19.69 61.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.834 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.0 p -64.1 -26.42 68.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HH ' ' HG2' ' A' ' 74' ' ' GLU . 97.0 m-85 -75.91 -8.06 56.03 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.382 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 64.41 19.4 11.78 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.513 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.556 ' HD2' ' SD ' ' A' ' 64' ' ' MET . 4.7 ptp180 -113.14 153.88 45.28 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.415 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.75 156.67 44.13 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.527 2.151 . . . . 0.0 111.543 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.88 154.9 41.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.699 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -98.62 107.13 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.683 178.103 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 tp -102.26 119.61 39.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.81 142.14 38.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.849 0.357 . . . . 0.0 111.297 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.99 121.05 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 170.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.3 mmpt? -85.63 -63.34 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.749 -177.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -171.92 159.31 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.367 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -87.04 147.28 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t -58.28 -179.61 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.123 0.487 . . . . 0.0 111.241 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -62.32 -19.22 63.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 109.315 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.41 138.1 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.069 169.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.73 -6.95 1.96 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.566 0.346 . . . . 0.0 111.817 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -54.52 -32.81 58.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 61.4 m-85 -122.32 142.08 50.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.014 0.435 . . . . 0.0 111.282 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.44 136.0 54.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.302 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m -106.6 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.014 0.435 . . . . 0.0 111.294 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -105.48 165.67 10.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.716 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.27 129.66 31.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.011 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 89.0 t -119.0 118.82 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.81 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.494 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 17.8 m -118.31 106.96 13.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.556 ' SD ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 ptp -127.16 158.65 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 110.684 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -79.39 108.77 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.875 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 m -88.73 130.07 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.12 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 t -60.96 -47.49 86.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.212 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -155.94 -178.51 7.35 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.442 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.61 -31.48 70.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.615 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.3 t -71.21 -46.62 60.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.786 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 75' ' ' ILE . 38.1 tt0 -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.901 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.56 -46.16 73.61 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.342 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -63.43 -39.18 93.79 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HG2' ' HH ' ' A' ' 40' ' ' TYR . 27.6 tt0 -63.78 -50.76 67.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.904 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.479 HD12 ' SD ' ' A' ' 64' ' ' MET . 73.9 mt -56.31 -41.42 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.22 -43.71 71.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.506 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.411 HE21 ' HA ' ' A' ' 74' ' ' GLU . 43.9 mt-30 -68.95 -41.64 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.648 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HB3' HD11 ' A' ' 36' ' ' LEU . 34.6 mmtp -58.48 -43.69 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.6 mt -62.82 -29.72 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.606 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 85' ' ' VAL . 43.4 p -85.29 9.8 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.097 -0.377 . . . . 0.0 111.76 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -99.22 11.96 37.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.3 mt -77.08 -24.6 51.85 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 71.92 -42.32 0.53 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.84 0.856 . . . . 0.0 111.085 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HD3' HG23 ' A' ' 27' ' ' THR . 16.2 ptpt -71.27 -5.88 35.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 80' ' ' SER . 8.2 p -91.66 139.55 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.408 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.21 -23.78 4.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.401 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -151.34 136.74 17.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -129.35 129.47 44.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.788 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.9 mm? . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.536 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.0 Cg_exo -79.79 154.78 88.02 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.469 -1.055 . . . . 0.0 112.488 -0.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.8 t -163.07 161.31 25.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.25 122.39 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.618 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.0 t-105 -117.46 145.54 44.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -91.38 131.59 36.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.115 0.483 . . . . 0.0 111.239 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.459 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 91.2 m-85 -121.77 114.81 21.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.615 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.823 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.3 tpp85 -85.86 112.38 21.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -113.23 110.92 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.418 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -101.94 112.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.546 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 70.6 mtm -121.53 162.88 19.78 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.388 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -93.89 13.46 22.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.888 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.499 HG23 ' HD3' ' A' ' 84' ' ' LYS . 13.1 t -130.34 161.9 30.26 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -95.51 -15.32 22.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.725 172.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.82 80.96 7.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.276 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -79.25 100.11 7.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.576 0.703 . . . . 0.0 109.188 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 9.3 p -122.93 -73.6 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.452 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -49.26 -36.02 19.27 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.8 tp -57.36 -46.9 82.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.827 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 37' ' ' LEU . 54.6 mtmt -75.8 -33.83 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.815 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 31' ' ' SER . 42.4 mt-10 -58.6 -43.4 89.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -68.01 -31.36 70.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.308 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' LYS . 67.3 mt -65.66 -40.97 93.01 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.245 0.545 . . . . 0.0 109.679 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 45.9 mt-10 -65.43 -31.19 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.547 -177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -64.66 -21.44 66.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 111.271 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 93.6 m-85 -83.38 -9.78 58.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.569 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 62.18 24.36 14.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.266 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.6 ptp180 -119.7 147.12 43.16 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.181 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.41 162.98 38.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.602 2.201 . . . . 0.0 112.576 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -155.29 172.49 18.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.99 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.591 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 5.1 ttpm? -127.33 112.32 14.9 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.52 124.79 34.35 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -125.65 143.8 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 111.684 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -110.72 107.91 17.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.7 -60.85 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.466 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -167.37 163.77 15.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.682 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 13.7 t -98.65 136.21 39.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' ASN . 30.9 t -72.79 83.99 1.2 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.395 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 47.26 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 112.885 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 52' ' ' SER . 65.9 m-20 -77.23 6.25 7.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 63.73 19.87 11.94 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -76.78 -35.84 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.246 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -121.69 148.67 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.855 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.42 125.71 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.9 p -94.42 112.41 24.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.874 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.54 158.7 16.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.4 132.01 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.63 118.54 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.097 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.591 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 78.6 p -105.58 106.87 17.56 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.491 ' SD ' HD11 ' A' ' 75' ' ' ILE . 26.5 ptm -129.11 160.17 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.248 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.4 136.76 47.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 15.8 m -124.0 126.79 73.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 21.0 t -84.07 -23.39 30.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.174 0.511 . . . . 0.0 109.891 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.63 178.33 10.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.896 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 23.2 tt0 -85.95 -17.8 34.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.535 -175.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -63.4 -40.75 98.06 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -67.17 -37.23 83.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.913 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 76.3 ttt180 -54.58 -34.21 61.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 87.7 m-20 -85.19 -42.47 14.68 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.699 177.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.0 tt0 -58.34 -50.12 74.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.056 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.5 mt -58.94 -40.06 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.69 -42.06 78.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 52.0 mt-30 -68.66 -36.96 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.372 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 74.8 mmtt -59.01 -41.9 88.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.158 0.504 . . . . 0.0 109.815 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.5 mt -60.88 -28.99 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.929 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -75.78 -19.39 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -84.04 0.58 47.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -75.42 -22.22 57.56 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.46 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t70 72.55 -31.18 0.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.277 0.631 . . . . 0.0 111.712 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.565 ' HB3' ' HZ3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -88.86 4.2 48.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.416 0.686 . . . . 0.0 111.336 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 11.3 p -92.23 137.65 21.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.444 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -112.31 -15.33 10.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.8 tp-100 -156.09 131.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.475 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.438 HG22 HG23 ' A' ' 79' ' ' ILE . 47.6 p -121.89 122.68 39.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.829 -177.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.823 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.601 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 2.9 Cg_endo -81.78 145.56 64.0 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 124.261 -1.141 . . . . 0.0 112.614 0.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 43.3 t -154.11 169.07 24.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -79.65 141.36 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.946 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -129.76 139.18 51.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.69 129.27 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.228 0.33 . . . . 0.0 110.398 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.451 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 76.0 m-85 -117.04 114.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.839 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.4 tpp180 -79.42 109.1 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG11 ' HG3' ' A' ' 25' ' ' MET . 49.0 t -111.66 111.7 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.728 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.38 109.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.296 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.449 ' HG3' HG11 ' A' ' 23' ' ' VAL . 84.2 mtp -120.23 159.03 25.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -97.19 16.58 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.676 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 t -136.87 132.57 34.74 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.786 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 9.9 mtmp? -72.36 -19.99 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.664 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -99.75 83.67 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.243 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -90.04 125.96 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.26 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 -53.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 m -52.25 -33.86 43.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.54 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.514 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 66.5 tp -59.28 -45.0 92.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.344 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -74.92 -31.51 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -61.76 -47.0 87.19 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.103 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 78' ' ' LYS . 4.5 pp -66.02 -30.67 71.26 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.89 0.376 . . . . 0.0 110.396 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD21 ' SD ' ' A' ' 64' ' ' MET . 75.5 mt -70.49 -37.31 74.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.243 0.544 . . . . 0.0 109.749 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.33 -30.83 71.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.472 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.1 p -69.03 -17.72 63.94 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -77.86 -14.58 59.52 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 59.23 24.82 13.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.335 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.605 HH11 ' HB2' ' A' ' 65' ' ' GLU . 11.0 ptp180 -113.82 152.4 45.56 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.68 148.46 77.8 Favored 'Trans proline' 0 C--O 1.237 0.471 0 C-N-CA 122.298 1.999 . . . . 0.0 112.163 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -155.31 151.08 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 34.2 ttpt -104.19 120.83 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.863 178.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -102.21 109.95 21.77 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HG3' ' HB3' ' A' ' 61' ' ' ASN . 13.2 pt-20 -123.61 128.69 50.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.414 . . . . 0.0 111.005 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -83.45 110.75 18.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.485 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 8.9 mmpt? -64.38 -67.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.145 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -178.89 164.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.802 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -99.37 146.34 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -50.98 153.89 1.68 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -63.85 -30.4 71.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.039 0.447 . . . . 0.0 110.369 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -84.68 0.43 50.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.76 22.99 12.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.812 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -82.01 -43.91 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CD1' HG23 ' A' ' 86' ' ' VAL . 36.2 m-85 -118.44 139.9 50.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.653 -177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -107.92 117.68 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -93.37 112.44 24.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.351 -174.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.57 166.19 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.171 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t30 -141.33 126.31 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.383 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 84.2 t -101.59 119.93 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.7 m -112.96 106.19 14.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 75' ' ' ILE . 24.7 ptm -134.58 161.19 35.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.588 0.232 . . . . 0.0 110.898 -175.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.605 ' HB2' HH11 ' A' ' 42' ' ' ARG . 36.6 mt-10 -74.97 138.55 42.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.057 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.3 126.95 68.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 27.8 t -88.51 -30.87 19.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.335 0.588 . . . . 0.0 109.602 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.479 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.0 p30 -139.45 178.36 7.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.556 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.84 -24.71 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.459 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.479 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 24.4 t -59.64 -37.76 79.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.76 -46.37 82.42 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.833 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -54.0 -37.26 63.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -74.2 -47.75 33.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.02 -49.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.364 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.626 HD12 ' SD ' ' A' ' 64' ' ' MET . 70.3 mt -56.15 -43.41 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -55.33 -40.41 71.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.412 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -71.07 -42.25 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.492 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HB3' HD23 ' A' ' 36' ' ' LEU . 71.2 mmtt -55.37 -43.89 75.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.584 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.4 mt -59.33 -29.27 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' HG13 ' A' ' 85' ' ' VAL . 42.1 t -73.95 -29.81 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.966 0.412 . . . . 0.0 110.699 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.14 3.7 2.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.329 -172.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 12.1 mt -83.28 -26.29 30.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.513 -0.117 . . . . 0.0 110.746 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.7 t70 71.92 -35.18 0.32 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.771 0.67 . . . . 0.0 111.391 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 82' ' ' LEU . 20.2 mttp -69.7 -10.17 57.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.432 0.693 . . . . 0.0 111.604 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 80' ' ' SER . 8.4 p -89.73 132.31 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.457 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.41 HG23 ' CD1' ' A' ' 57' ' ' PHE . 32.6 m -99.99 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -161.22 142.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.863 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 t -141.82 140.37 32.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.819 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.525 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 72.2 Cg_endo -81.06 158.15 83.83 Favored 'Cis proline' 0 C--N 1.353 0.789 0 C-N-CA 123.661 -1.391 . . . . 0.0 112.81 -3.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -164.69 170.68 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.212 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -79.46 108.79 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -95.14 147.31 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.83 119.63 35.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -172.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -108.06 130.87 55.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.821 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.6 tpp180 -94.66 109.67 21.58 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -107.18 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.649 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -95.13 115.42 33.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.1 mtp -120.19 156.28 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.349 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 p -93.36 27.05 2.69 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.313 0.578 . . . . 0.0 110.745 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -155.75 157.83 37.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.206 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 56.0 mtmt -102.62 7.56 39.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 109.878 174.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -84.05 87.97 7.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.309 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -105.63 101.3 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.802 0.81 . . . . 0.0 110.85 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 47.5 t -138.34 -54.35 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.707 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -48.29 -36.58 14.44 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.938 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD12 HD11 ' A' ' 82' ' ' LEU . 53.7 tp -61.44 -45.48 94.12 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.952 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 53.6 mtmt -72.17 -38.33 69.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -177.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 31' ' ' SER . 25.5 mm-40 -52.53 -50.84 62.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.145 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.81 -31.43 72.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.721 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD21 ' SD ' ' A' ' 64' ' ' MET . 82.4 mt -68.15 -39.35 82.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.143 0.497 . . . . 0.0 110.302 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.6 mt-10 -72.23 -20.13 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.821 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 p -61.3 -27.02 68.18 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.092 0.472 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.545 ' HH ' ' HG2' ' A' ' 74' ' ' GLU . 78.4 m-85 -78.97 -9.43 59.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.948 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 61.35 17.37 8.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.938 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 9.8 ptp180 -107.37 150.53 40.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.905 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.11 159.47 53.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.608 2.206 . . . . 0.0 112.356 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.31 151.34 24.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.258 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -111.44 112.92 25.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -105.02 124.99 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.135 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -141.9 143.34 33.25 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.264 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -88.38 109.97 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 30.7 mmtp -72.7 -66.18 0.7 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.716 -175.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -166.33 142.15 4.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.688 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -95.63 132.64 40.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -57.63 157.29 7.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -57.36 -30.34 64.77 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -68.26 -19.24 64.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.977 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.35 13.88 9.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.247 0.619 . . . . 0.0 111.341 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -93.24 -28.75 16.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.344 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.99 107.32 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -98.37 118.87 36.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.675 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -95.12 115.97 28.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.976 0.417 . . . . 0.0 111.526 -176.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 97.8 m-85 -103.99 164.41 11.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.44 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 t30 -132.49 125.75 31.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.134 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.66 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -118.27 107.53 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.534 ' SD ' HD21 ' A' ' 37' ' ' LEU . 18.7 ptm -135.76 151.04 49.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 -172.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.588 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.5 mt-10 -73.95 116.27 14.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.464 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.1 m -97.85 126.75 50.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 16.9 m -64.63 -40.13 94.92 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 35.0 p-10 -163.35 -175.26 4.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.675 -176.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.39 -44.29 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.73 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -53.1 -51.62 61.3 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.213 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' HG2' ' OD1' ' A' ' 68' ' ' ASN . 18.2 mm-40 -59.03 -44.32 91.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.516 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -30.54 69.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.403 -174.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -88.67 -43.03 11.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.545 ' HG2' ' HH ' ' A' ' 40' ' ' TYR . 32.4 tt0 -57.44 -52.72 64.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.188 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.484 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.7 mt -55.97 -40.79 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.661 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.09 -49.68 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.12 -35.66 75.74 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.925 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -70.25 -37.96 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.813 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 70.2 mt -64.72 -29.98 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 85' ' ' VAL . 19.8 p -85.15 8.66 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -92.63 -2.37 56.15 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -66.19 -24.84 66.7 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.286 -174.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.0 t70 73.71 -37.18 0.36 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.64 0.588 . . . . 0.0 110.705 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 72.0 mttt -70.78 -21.22 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.971 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 80' ' ' SER . 7.8 p -78.11 135.53 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.356 -178.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.1 p -106.63 -25.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 -176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -158.81 123.56 4.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.792 0.33 . . . . 0.0 110.961 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 p -110.36 127.83 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.821 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--O 1.234 0.238 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.638 0.256 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.72 175.56 49.61 Favored Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -142.49 150.87 41.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.015 0.408 . . . . 0.0 110.601 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.7 mtt -71.27 156.87 91.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -62.1 -178.5 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.436 2.091 . . . . 0.0 111.902 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -95.5 11.92 31.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -80.91 147.47 30.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m 63.58 28.14 15.11 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.174 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 1.8 tpmt? -64.57 126.3 27.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.731 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.85 122.97 77.93 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 173.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.21 152.29 76.15 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.665 2.243 . . . . 0.0 112.579 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m -71.04 123.82 22.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.812 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -104.2 133.69 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mm -88.98 105.89 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 111.198 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -101.66 145.04 29.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 4.3 Cg_exo -78.27 156.86 93.9 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 124.272 -1.137 . . . . 0.0 112.318 -0.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.7 t -166.3 159.22 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.253 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.03 124.28 23.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.015 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -111.64 143.75 42.01 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -106.68 127.08 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.9 135.66 54.46 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.833 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.89 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.9 tpp180 -102.84 118.59 37.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 25' ' ' MET . 29.8 t -119.46 108.94 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 -175.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.94 110.04 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.412 ' HG3' HG12 ' A' ' 23' ' ' VAL . 68.0 mtm -119.83 157.68 28.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.781 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -93.56 19.66 8.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.689 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.48 HG21 ' HG2' ' A' ' 84' ' ' LYS . 14.6 t -135.41 146.98 48.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.222 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -90.91 -11.67 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 171.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -85.98 79.01 9.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.456 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -89.0 100.82 13.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.555 0.693 . . . . 0.0 110.496 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -110.89 -67.99 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.713 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 m -46.6 -38.57 9.75 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.111 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.1 tp -59.89 -48.36 82.01 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.838 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 51.0 mtmt -74.88 -35.49 62.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 110.254 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -55.35 -50.97 68.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.68 -31.12 70.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.105 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD22 ' SD ' ' A' ' 64' ' ' MET . 60.5 mt -74.83 -44.78 47.38 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.181 0.515 . . . . 0.0 110.497 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 53.5 mt-10 -63.62 -26.16 68.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.114 -174.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.3 p -61.63 -26.02 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -75.77 -8.74 57.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.806 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.99 12.68 6.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.448 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -105.05 156.32 36.28 Favored Pre-proline 0 C--O 1.236 0.375 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.41 162.89 40.9 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.3 2.0 . . . . 0.0 111.849 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.09 153.44 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.99 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -99.35 123.45 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.764 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.7 119.24 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 62.9 mm-40 -128.25 155.23 44.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 0.0 111.295 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -118.64 116.97 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -85.53 -60.53 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.552 0.215 . . . . 0.0 111.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -167.57 167.72 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.27 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -131.42 147.94 52.61 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -56.75 165.12 1.27 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -65.45 -17.91 64.91 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -173.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -101.0 5.09 42.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.307 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.05 26.37 13.49 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.292 0.568 . . . . 0.0 110.586 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -87.43 -40.33 14.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.532 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' CD1' HG21 ' A' ' 86' ' ' VAL . 61.2 m-85 -113.76 122.52 47.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.877 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -105.1 118.46 36.6 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -87.07 111.98 21.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.309 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.76 148.55 26.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.274 0.559 . . . . 0.0 110.332 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -116.86 122.05 43.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.64 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -118.42 136.26 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.85 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -139.6 121.07 15.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.553 ' SD ' HD11 ' A' ' 75' ' ' ILE . 24.6 ptm -141.91 155.67 45.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.663 0.268 . . . . 0.0 110.769 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.07 120.07 20.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.12 128.24 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 29.7 t -87.51 -18.73 29.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.689 0.28 . . . . 0.0 110.865 -176.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.51 178.7 9.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 0.0 110.725 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.64 -28.91 51.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.781 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.4 t -63.04 -47.09 84.5 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 52.9 mt-10 -56.94 -46.48 82.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.987 0.422 . . . . 0.0 110.183 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.24 -34.82 61.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 41.2 m-80 -83.81 -48.41 10.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.439 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 11.6 pt-20 -60.25 -43.62 95.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 -174.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.553 HD11 ' SD ' ' A' ' 64' ' ' MET . 71.6 mt -60.01 -43.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.57 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.469 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.1 mt-30 -72.33 -35.04 68.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.026 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 79.2 mttt -67.59 -33.69 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.257 0.551 . . . . 0.0 109.69 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.51 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 72.3 mt -62.14 -29.79 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.139 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -87.1 -4.81 59.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.028 -0.42 . . . . 0.0 111.332 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 26.0 mt-30 -93.44 3.46 55.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.12 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 18.9 mt -71.14 -34.58 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.649 0.262 . . . . 0.0 110.485 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.2 t70 77.33 -36.64 0.24 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.786 0.834 . . . . 0.0 111.066 -175.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HG2' HG21 ' A' ' 27' ' ' THR . 3.0 mptp? -62.07 -25.86 67.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.615 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 p -76.69 131.6 34.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 57' ' ' PHE . 34.3 m -102.7 -19.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -156.57 118.67 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.584 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.0 p -98.31 133.23 43.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.89 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.8 mm? -115.13 104.71 12.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.37 60.34 0.34 Allowed Glycine 0 C--O 1.237 0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.929 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.785 -0.626 . . . . 0.0 109.898 178.335 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.35 118.79 5.07 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.247 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -69.18 140.04 54.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.6 mpp? -64.11 151.55 89.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.08 155.03 71.09 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.547 2.165 . . . . 0.0 111.504 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' OG ' ' NZ ' ' A' ' 10' ' ' LYS . 25.6 p -164.99 161.61 20.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -73.97 -38.32 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.6 t -69.68 116.51 10.16 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.659 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -78.82 132.78 36.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 9.1 mptt -71.74 145.33 89.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.323 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.31 130.14 38.52 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.553 2.169 . . . . 0.0 111.55 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.6 m -62.69 111.56 2.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.88 140.81 15.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.613 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.54 132.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.238 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -125.27 139.72 34.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.17 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.514 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -85.34 145.34 39.74 Favored 'Cis proline' 0 C--N 1.349 0.598 0 C-N-CA 124.136 -1.193 . . . . 0.0 112.354 -1.481 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -150.12 163.64 37.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.895 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.88 103.3 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -88.53 143.8 26.74 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -107.64 132.94 52.77 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.203 0.525 . . . . 0.0 111.564 -174.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 82.7 m-85 -122.14 131.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.424 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.817 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.5 tpt180 -93.06 110.31 21.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.8 t -111.29 118.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.7 mt -110.27 109.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.45 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 39.7 mtm -117.07 149.36 40.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.301 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -86.72 42.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 HG21 ' HE3' ' A' ' 84' ' ' LYS . 10.1 t -162.51 158.24 23.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.311 -176.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -104.32 -2.48 25.48 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 171.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.94 79.94 7.52 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -86.88 101.63 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 17.9 m -130.58 -62.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.386 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.1 m -59.96 -34.94 73.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.5 tp -54.72 -48.36 72.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.698 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' ' 30' ' ' THR . 50.6 mtmt -70.05 -36.33 74.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.81 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' SER . 23.5 mm-40 -54.51 -49.46 70.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.108 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.5 pp -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.071 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD22 ' SD ' ' A' ' 64' ' ' MET . 87.7 mt -70.89 -34.03 71.16 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.012 0.434 . . . . 0.0 110.293 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.34 -26.41 60.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.936 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.5 p -61.93 -15.95 47.13 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.753 0.311 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.511 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 97.3 m-85 -92.39 -14.15 29.06 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.263 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.01 33.22 22.96 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.604 0.361 . . . . 0.0 111.583 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.511 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.7 ptp180 -124.03 150.56 63.34 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.85 147.83 75.6 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.301 2.001 . . . . 0.0 112.319 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -144.43 146.35 32.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.816 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -101.44 104.19 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.9 122.86 42.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.92 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -145.0 156.16 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.29 0.369 . . . . 0.0 110.721 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -94.55 116.54 28.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.966 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' A' ' 61' ' ' ASN . 72.9 mmtt -69.3 -81.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -157.65 176.58 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.257 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.402 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 13.2 t -132.69 146.06 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 33.1 m -64.96 175.67 1.46 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.7 -50.25 73.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -85.94 8.1 21.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.624 0.249 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.85 19.95 8.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.234 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 72.2 m-85 -113.01 125.36 54.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.039 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -113.37 121.12 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.625 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -92.27 121.2 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -108.99 162.42 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 2.3 t30 -114.76 122.46 46.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.563 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.08 118.21 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 m -129.72 108.16 9.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.538 ' SD ' HD11 ' A' ' 75' ' ' ILE . 22.5 ptm -136.74 150.65 48.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.626 0.25 . . . . 0.0 110.8 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 126.32 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 28.3 m -114.12 131.07 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.514 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 13.5 m -75.31 -30.19 60.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.32 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -170.95 -178.46 2.5 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.924 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.418 ' HG2' ' ND2' ' A' ' 73' ' ' ASN . 37.6 tt0 -61.61 -30.66 70.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.057 -174.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 m -57.21 -38.99 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.805 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.43 -31.18 57.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.292 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.563 HH21 ' HB2' ' A' ' 91' ' ' SER . 2.5 tmt_? -56.92 -42.51 80.13 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 43.6 m-80 -70.68 -45.92 64.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 39.8 tt0 -61.25 -55.85 27.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.538 HD11 ' SD ' ' A' ' 64' ' ' MET . 76.3 mt -58.1 -41.35 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.501 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -53.62 -45.09 69.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.409 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.25 -39.19 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.6 mmtp -59.42 -43.21 93.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 78.2 mt -62.01 -29.71 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.68 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -79.21 -11.92 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.347 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.84 -5.71 57.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.413 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -72.37 -37.49 68.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.115 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 72.95 -33.2 0.26 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.832 0.853 . . . . 0.0 111.365 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HE3' HG21 ' A' ' 27' ' ' THR . 15.8 mtpp -59.87 -21.55 61.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.359 0.6 . . . . 0.0 109.681 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -84.01 129.39 37.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.739 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.17 -15.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.246 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -151.86 128.04 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.675 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 p -119.21 115.79 24.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.594 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.817 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp -110.92 113.86 26.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 176.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.49 4.59 64.27 Favored Glycine 0 C--N 1.331 0.252 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.563 ' HB2' HH21 ' A' ' 72' ' ' ARG . 17.1 t . . . . . 0 C--O 1.249 1.068 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.04 131.64 2.4 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.94 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -138.46 155.18 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.0 mtm -125.86 155.25 73.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.004 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.5 99.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.436 2.091 . . . . 0.0 111.558 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -64.48 -23.45 67.28 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.306 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.78 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.732 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.5 t -65.62 134.31 53.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -94.73 134.92 36.82 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.3 mtpt -59.81 130.88 88.73 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 47.7 Cg_exo -55.81 125.61 19.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.875 2.383 . . . . 0.0 112.519 -176.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -75.67 111.11 10.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.165 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.02 110.17 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -90.42 132.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -113.14 151.37 44.16 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.06 150.35 73.34 Favored 'Cis proline' 0 C--N 1.353 0.813 0 C-N-CA 124.635 -0.986 . . . . 0.0 112.485 0.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 p -155.94 160.79 40.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.09 103.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -94.53 147.43 23.27 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.79 119.36 38.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 96.9 m-85 -105.0 147.49 27.75 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.89 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.851 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.1 tpp85 -125.86 113.96 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -115.64 110.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 70.9 mt -100.88 108.04 22.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 65.1 mtm -111.07 176.78 4.89 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -106.47 12.7 29.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.88 0.371 . . . . 0.0 111.434 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -141.8 158.86 43.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.427 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.5 -6.37 58.92 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.13 82.54 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.294 0.569 . . . . 0.0 109.903 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.446 ' HG1' HD21 ' A' ' 46' ' ' LEU . 3.4 t -95.04 100.08 11.97 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.54 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 22.9 t -146.47 -53.59 0.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.366 -175.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.8 m -59.9 -31.15 69.54 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.764 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.7 -44.61 93.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.253 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 50.9 mtmt -70.58 -33.81 71.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.411 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -50.88 -48.62 60.24 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -69.84 -30.43 67.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD21 ' SD ' ' A' ' 64' ' ' MET . 72.9 mt -72.56 -39.03 67.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-10 -67.75 -22.48 65.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.723 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -61.45 -30.12 70.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 110.527 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -79.96 -22.2 42.89 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.24 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 58.27 21.44 8.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.233 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -97.74 155.52 37.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.27 138.71 62.29 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.395 2.063 . . . . 0.0 112.259 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -148.91 151.94 35.53 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HE2' ' OG ' ' A' ' 63' ' ' SER . 37.6 ttpt -105.26 117.68 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.353 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD21 ' HG1' ' A' ' 30' ' ' THR . 1.6 tm? -88.86 112.41 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -129.83 156.25 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -173.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 91.3 t80 -124.77 114.49 19.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.223 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.538 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.2 mmpt? -83.96 -64.9 1.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -158.91 158.3 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.568 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 6.8 t -121.96 145.56 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.4 t -55.86 159.07 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.505 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.624 ' HB3' ' HZ2' ' A' ' 53' ' ' LYS . 2.5 mmmp? -56.89 -32.31 65.75 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.009 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -85.27 -8.03 58.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.816 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.58 18.58 8.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.132 -176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -87.26 -33.71 19.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -113.39 135.92 53.34 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -121.9 125.47 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.954 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -91.32 112.45 24.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.114 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 86.2 m-85 -104.48 156.42 17.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.874 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.507 ' HB3' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -131.44 129.21 40.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.1 -175.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' N ' HD21 ' A' ' 61' ' ' ASN . 96.5 t -129.95 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.195 177.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.492 ' OG ' ' HE2' ' A' ' 45' ' ' LYS . 20.5 p -111.95 122.12 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' HD21 ' A' ' 37' ' ' LEU . 22.1 ptm -143.93 146.52 33.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.394 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.0 107.88 5.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -90.02 127.87 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.347 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.3 t -61.35 -35.64 78.0 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -161.22 -173.77 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 44.7 tt0 -72.35 -38.38 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.077 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -59.62 -32.82 70.78 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.245 -0.284 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.31 -56.36 19.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 9.3 ptm180 -63.35 -14.42 49.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.846 -173.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.12 -41.32 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.714 0.292 . . . . 0.0 110.569 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 10.3 pt-20 -69.11 -45.74 69.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.929 0.395 . . . . 0.0 110.165 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.534 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 mt -60.67 -40.04 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.87 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -54.66 -39.42 68.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.761 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -73.1 -39.7 65.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HB2' HD11 ' A' ' 36' ' ' LEU . 78.5 mttt -63.78 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.086 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.611 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 81.4 mt -63.65 -29.83 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.361 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.505 ' HA ' HG12 ' A' ' 85' ' ' VAL . 51.5 p -85.9 8.7 19.24 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.876 -0.515 . . . . 0.0 111.595 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.69 1.48 56.79 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.323 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.4 mt -76.92 -23.43 52.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.5 0.191 . . . . 0.0 110.534 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 t70 73.42 -40.09 0.46 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.942 0.776 . . . . 0.0 111.184 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' H ' ' C ' ' A' ' 82' ' ' LEU . 24.7 mttt -75.09 -6.87 51.81 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.136 0.575 . . . . 0.0 111.603 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 80' ' ' SER . 7.5 p -89.37 132.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.02 -28.05 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.441 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 53.9 tp60 -142.16 118.77 11.01 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.027 0.442 . . . . 0.0 110.902 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 p -104.96 126.8 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.474 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.851 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp -122.48 123.13 40.57 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.69 18.72 16.92 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.252 1.221 0 C-N-CA 123.514 0.726 . . . . 0.0 110.355 -176.821 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.893 0.378 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.87 -179.3 22.86 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -141.28 120.16 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.716 0.258 . . . . 0.0 110.329 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 69.2 mtm -56.16 142.03 67.61 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 22.7 Cg_exo -65.04 147.37 88.81 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.047 2.498 . . . . 0.0 112.826 -176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' OG ' ' HB2' ' A' ' 9' ' ' LYS . 32.6 t -75.39 96.72 3.47 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.369 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.15 -45.33 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.451 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -73.4 -49.32 27.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.342 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HB2' ' OG ' ' A' ' 6' ' ' SER . 31.1 mmmt -63.98 101.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.436 -178.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.65 148.18 94.92 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 178.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -62.47 123.91 13.26 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.371 2.047 . . . . 0.0 111.131 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 m -98.82 111.25 23.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.064 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mm -93.31 142.13 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.721 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -92.7 110.07 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 67' ' ' SER . 73.2 m-85 -95.81 148.54 34.72 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.99 -178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.95 160.22 95.09 Favored 'Cis proline' 0 C--N 1.351 0.696 0 C-N-CA 124.345 -1.106 . . . . 0.0 111.991 -0.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.8 t -163.59 160.8 23.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.458 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -75.52 110.68 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -93.57 141.48 28.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.37 132.75 50.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.536 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.513 ' HH ' ' HA ' ' A' ' 72' ' ' ARG . 82.3 m-85 -124.32 142.94 50.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.546 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.711 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 2.4 tpp180 -110.68 111.24 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.501 HG11 ' HG3' ' A' ' 25' ' ' MET . 41.4 t -104.89 106.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.434 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.2 mt -96.9 108.08 20.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.001 0.429 . . . . 0.0 110.237 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.501 ' HG3' HG11 ' A' ' 23' ' ' VAL . 77.9 mtp -116.57 145.4 43.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.882 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 16.9 p -82.44 -5.97 59.01 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -112.99 155.63 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -97.67 1.29 48.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.49 84.02 4.66 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 t -89.53 99.59 12.56 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.695 0.76 . . . . 0.0 109.338 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 p -137.65 -63.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.457 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -31.61 37.54 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.501 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.08 -40.32 97.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.588 ' HZ1' HD12 ' A' ' 46' ' ' LEU . 65.3 mttm -69.24 -42.07 76.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.898 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.05 -51.54 52.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.369 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 HD21 HD22 ' A' ' 82' ' ' LEU . 3.3 pp -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.635 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.76 -40.83 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.316 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.39 -19.2 63.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.084 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -62.78 -25.53 68.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.468 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 43.9 m-85 -81.69 -4.28 55.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.662 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.45 29.86 18.88 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.259 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.511 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 10.3 ptp180 -127.71 155.88 76.5 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.561 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.41 156.39 64.38 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.473 2.115 . . . . 0.0 112.037 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.51 153.5 34.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 37.7 ttpt -107.23 106.92 17.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.588 HD12 ' HZ1' ' A' ' 34' ' ' LYS . 2.6 tt -108.9 106.59 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 63.1 mm-40 -119.52 154.99 32.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.147 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -96.79 117.56 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -76.85 -80.11 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.15 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -146.92 178.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.2 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.412 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 10.2 t -141.45 145.61 35.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.901 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -70.28 173.21 7.03 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HZ1' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -52.56 -53.41 46.76 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.218 0.607 . . . . 0.0 111.906 -175.547 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -91.74 13.88 16.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.114 0.483 . . . . 0.0 110.006 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.06 7.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.16 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 26' ' ' THR . 24.6 ttmm -65.33 -34.9 79.41 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -118.63 111.27 18.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.739 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -93.0 119.04 31.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.0 m -92.42 112.48 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.381 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -104.78 154.97 19.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.41 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -121.28 122.59 40.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.42 119.06 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 7.8 m -121.22 112.76 19.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.514 ' SD ' HD12 ' A' ' 75' ' ' ILE . 25.0 ptm -136.18 161.67 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 111.03 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -75.9 122.45 24.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.747 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 m -108.0 134.72 48.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 37.1 t -72.6 -51.89 17.78 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.04 -161.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.242 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 31.3 tt0 -71.46 -20.52 62.08 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.674 0.273 . . . . 0.0 111.652 -174.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -62.9 -42.85 99.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.962 0.411 . . . . 0.0 110.66 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 20.2 mp0 -64.19 -48.59 75.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -60.02 -15.46 22.83 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -174.635 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -93.76 -45.4 7.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.854 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 8.2 pt-20 -64.6 -43.78 92.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.933 0.396 . . . . 0.0 110.421 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.514 HD12 ' SD ' ' A' ' 64' ' ' MET . 69.5 mt -63.36 -36.23 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.287 -178.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.0 -36.73 73.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.035 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.32 -39.2 54.71 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.852 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.9 mmtp -55.21 -41.38 71.96 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.214 0.53 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.569 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.6 mt -61.33 -29.26 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.17 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -78.61 -20.36 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.53 -5.98 32.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.715 -175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.9 mt -80.85 -21.43 40.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.99 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.2 t70 71.93 -38.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.226 0.61 . . . . 0.0 111.309 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 82.5 mttt -61.1 -28.79 69.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.635 0.774 . . . . 0.0 112.037 -178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.0 p -78.1 135.88 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.664 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.19 -30.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.795 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.528 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.8 tt0 -138.42 115.18 10.69 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -102.34 123.01 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.515 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.711 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.1 mp -115.51 116.83 28.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.27 67.42 0.32 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.415 -177.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.62 -118.67 15.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.049 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -84.85 146.32 27.37 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 83.0 mtp -63.06 115.55 18.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.793 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 56.1 Cg_endo -69.53 93.55 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.396 2.064 . . . . 0.0 111.657 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -61.13 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.275 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.17 19.69 10.27 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.303 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 5' ' ' PRO . 24.1 t -113.82 148.88 35.83 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 40.5 ttmt 59.06 41.36 20.85 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.362 0.601 . . . . 0.0 109.68 -175.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 74.36 127.21 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.661 -175.487 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.83 166.6 11.77 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.583 2.189 . . . . 0.0 111.136 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -65.54 109.25 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -101.66 119.93 50.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.0 mm -96.2 118.55 42.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -101.69 146.94 33.12 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.488 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.494 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -77.88 167.7 77.93 Favored 'Cis proline' 0 C--N 1.352 0.724 0 C-N-CA 124.178 -1.176 . . . . 0.0 112.421 0.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 t -161.82 153.35 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.487 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.46 102.62 3.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.197 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -92.37 132.46 36.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.07 137.34 37.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.07 0.462 . . . . 0.0 110.972 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -125.7 115.61 20.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 7.4 tpp180 -79.15 109.7 13.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.94 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.65 111.44 29.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.13 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.501 ' SD ' HD12 ' A' ' 82' ' ' LEU . 52.7 mtm -121.86 160.64 24.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.341 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -94.45 29.05 2.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.724 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 84' ' ' LYS . 12.3 t -149.9 143.51 25.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.848 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -88.56 -11.7 44.87 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.18 79.42 6.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.907 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -90.15 107.5 19.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.426 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 31.4 p -124.76 -66.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.575 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -53.02 -33.33 51.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.074 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.3 tp -58.88 -43.21 90.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.473 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -75.48 -41.76 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.244 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 31' ' ' SER . 69.2 mm-40 -56.36 -47.53 78.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.054 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pp -62.73 -32.1 73.16 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.357 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.713 HD22 ' SD ' ' A' ' 64' ' ' MET . 85.4 mt -69.0 -40.78 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 109.993 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.43 -19.87 63.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.88 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 35' ' ' GLU . 36.1 p -64.26 -18.12 64.26 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.703 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -92.05 -7.3 49.16 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.007 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 65.32 -3.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.895 0.878 . . . . 0.0 112.715 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -88.44 152.3 49.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.67 160.07 51.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 112.774 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.59 160.3 42.39 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.074 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -117.44 111.43 19.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.333 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.43 118.32 26.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.817 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 18.3 mm-40 -120.42 124.01 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -102.6 108.12 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -86.26 -67.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.966 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -149.27 142.32 24.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 111.491 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -100.65 145.56 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 44.0 m -56.88 158.04 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.61 0.243 . . . . 0.0 111.182 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -54.97 -39.46 68.99 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.462 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -99.46 15.71 25.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.065 0.459 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.46 17.91 8.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.451 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.57 -49.62 62.3 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.711 0.291 . . . . 0.0 111.059 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.424 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 70.3 m-85 -112.78 151.84 29.86 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.078 0.466 . . . . 0.0 110.243 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.34 116.96 22.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -90.37 112.28 23.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.233 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.7 165.42 11.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.118 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.552 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 4.0 t30 -142.77 122.31 13.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.282 177.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.19 119.36 56.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -115.55 110.83 19.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.713 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.2 ptm -143.04 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.324 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.21 139.15 41.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.462 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.92 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.5 t -82.28 -31.29 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.665 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.06 177.06 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 112.101 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -60.77 -45.46 94.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.711 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -57.87 -41.21 82.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.73 -52.43 57.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.498 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -56.33 -34.93 67.04 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 -173.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.65 -37.8 26.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 24.4 tt0 -62.25 -47.12 85.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.317 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.51 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.0 mt -59.45 -40.81 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.373 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.96 -44.5 82.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.062 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.5 mt-30 -65.59 -42.98 91.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.54 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -55.56 -45.32 77.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.461 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.3 mt -62.37 -28.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.552 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.6 t -76.89 -17.31 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.8 mt-30 -85.71 -0.56 55.51 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.9 mt -73.99 -17.17 61.03 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.942 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 13.4 t70 74.38 -27.48 0.19 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.117 0.567 . . . . 0.0 111.693 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 27' ' ' THR . 31.5 mttm -89.42 -3.25 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.034 0.534 . . . . 0.0 111.741 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.552 HG11 ' HA ' ' A' ' 80' ' ' SER . 10.1 p -89.98 147.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.38 -23.06 2.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.468 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -160.26 137.93 9.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.737 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 11.5 p -141.4 115.76 9.46 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.0 mp -104.5 116.38 32.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.88 37.53 0.57 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.079 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.619 -178.684 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.94 -118.36 2.28 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -65.22 126.76 29.17 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtp -104.22 107.74 58.25 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.012 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -58.29 -26.7 78.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.608 2.205 . . . . 0.0 111.512 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -114.28 90.56 3.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.791 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.27 150.71 45.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -97.14 128.18 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.088 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -127.02 175.54 8.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.721 -176.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.3 mmpt? -115.56 130.31 24.43 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.765 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.03 133.23 52.0 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.513 2.142 . . . . 0.0 111.945 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -78.36 111.24 14.15 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.904 0.383 . . . . 0.0 110.544 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mm -88.68 129.21 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.661 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 14' ' ' ILE . 2.0 mp -78.81 133.05 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -132.11 129.68 21.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -76.08 155.82 98.61 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 124.15 -1.187 . . . . 0.0 112.947 -0.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 45.6 t -170.36 176.91 4.29 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.32 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 69.9 mt -86.26 134.3 33.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 110.747 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.0 t-105 -125.71 129.83 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.696 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 119.02 29.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.927 0.394 . . . . 0.0 111.444 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -99.06 144.7 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.662 176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.754 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.1 tpp85 -109.26 113.52 26.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.44 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.741 -174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.85 105.54 17.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.171 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.556 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 71.6 mtp -107.24 170.42 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.138 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -101.09 12.2 38.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.15 0.5 . . . . 0.0 110.61 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.488 HG23 ' HD3' ' A' ' 84' ' ' LYS . 15.1 t -150.91 163.89 37.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.779 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 50.3 mtmt -99.21 4.27 46.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.967 0.413 . . . . 0.0 110.143 173.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -79.28 79.8 5.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.467 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.4 t -98.2 100.57 11.88 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.628 0.728 . . . . 0.0 109.74 177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 22.7 t -126.39 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.561 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.502 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.6 m -50.59 -36.27 34.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.7 tp -58.19 -43.23 87.43 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.839 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.2 mtmt -75.41 -37.92 60.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 31' ' ' SER . 67.1 mt-10 -61.55 -44.48 96.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.026 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.0 pp -61.95 -30.53 70.98 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 34' ' ' LYS . 56.9 mt -69.61 -43.09 73.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.023 0.439 . . . . 0.0 109.828 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.08 -31.43 70.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.646 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 p -59.41 -28.02 66.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.348 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.564 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 94.1 m-85 -80.37 -4.16 52.46 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.813 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 59.78 21.85 10.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.783 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.564 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -121.34 151.42 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.61 150.19 88.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.547 2.164 . . . . 0.0 112.485 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -138.18 163.08 32.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.419 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.575 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 3.6 tmmm? -118.65 114.46 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -103.4 107.02 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.64 132.29 55.04 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -96.39 117.15 30.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -75.33 -70.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.806 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -174.59 165.24 3.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -94.92 145.38 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.18 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -64.19 162.16 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.797 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 4.7 ttmp? -65.93 -31.28 72.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 110.508 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -74.67 -11.62 60.23 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 10.31 6.4 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.281 0.633 . . . . 0.0 112.195 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -87.81 -27.4 22.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.559 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -118.89 119.47 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.94 125.87 50.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.785 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t -95.28 118.97 32.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.943 0.401 . . . . 0.0 111.313 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.431 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 96.2 m-85 -111.66 155.38 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.945 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -133.59 121.73 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 72.3 t -122.94 119.52 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.803 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.575 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 80.0 p -114.38 133.69 55.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.529 ' SD ' HG22 ' A' ' 75' ' ' ILE . 24.8 ptm -142.6 164.74 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 52.0 mt-10 -70.63 115.61 9.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 m -98.29 126.25 51.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.531 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . 18.0 m -75.92 -36.83 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.076 0.465 . . . . 0.0 110.524 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.58 178.56 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.958 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 43.9 tt0 -58.13 -44.57 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.191 -174.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -57.4 -35.74 70.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.531 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 33.4 mm-40 -64.49 -50.45 67.39 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.665 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.7 ptt180 -59.9 -31.07 69.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.103 -176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.1 m-20 -66.28 -57.29 7.84 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.666 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 32.4 tt0 -55.25 -50.56 69.17 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.163 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.529 HG22 ' SD ' ' A' ' 64' ' ' MET . 78.8 mt -56.81 -43.08 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.48 -41.61 85.65 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.335 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 46.2 mt-30 -67.86 -39.38 83.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.47 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.3 mmtp -58.37 -41.79 85.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.312 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.7 mt -59.8 -30.83 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.222 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.1 p -80.75 -10.12 59.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.144 -0.347 . . . . 0.0 111.783 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.11 7.85 5.64 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -82.67 -26.18 32.34 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 72.37 -39.45 0.45 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.612 0.765 . . . . 0.0 111.353 -175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HD3' HG23 ' A' ' 27' ' ' THR . 13.3 ptpt -75.09 8.07 2.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.713 0.405 . . . . 0.0 111.252 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -109.24 131.83 58.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.7 m -99.13 -35.43 4.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -140.18 133.11 29.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.942 0.401 . . . . 0.0 110.809 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.7 p -123.18 116.32 23.22 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.982 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.754 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mp -107.08 144.94 33.03 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.63 -30.79 59.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.052 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.985 178.125 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.79 147.04 7.18 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.782 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -88.03 152.2 22.21 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.425 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 38.0 mtm -93.37 163.64 24.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 89.9 Cg_exo -43.82 -31.67 3.74 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.934 2.423 . . . . 0.0 112.936 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -136.18 105.08 5.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 110.802 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.54 19.39 19.11 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.286 174.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -62.52 142.51 57.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.442 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -87.24 149.35 24.64 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.783 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 10' ' ' LYS . 65.6 mmtt -92.6 162.16 30.21 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.819 -177.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.93 107.61 2.39 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.639 2.226 . . . . 0.0 111.327 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -79.68 110.8 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.041 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -81.84 111.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -87.11 105.48 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.562 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -82.75 149.65 60.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.887 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.3 Cg_exo -78.18 157.82 93.85 Favored 'Cis proline' 0 C--N 1.353 0.796 0 C-N-CA 124.26 -1.142 . . . . 0.0 112.664 1.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -165.75 158.67 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.148 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -74.29 142.32 45.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.99 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -130.07 137.94 50.47 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.99 129.88 45.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.28 0.363 . . . . 0.0 110.503 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 73.5 m-85 -117.33 119.49 35.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.865 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.659 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 16.1 tpt180 -83.47 109.73 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -116.09 111.56 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.353 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 60.4 mt -107.15 112.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.4 mtm -116.95 162.76 17.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.1 p -92.31 14.29 16.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.356 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -144.37 153.27 41.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 111.226 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.676 ' HB3' ' HZ2' ' A' ' 28' ' ' LYS . 3.7 mmmp? -82.22 -9.84 59.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.094 173.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -76.2 79.31 3.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.285 0.564 . . . . 0.0 109.897 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 t -87.51 99.21 11.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.1 p -130.51 -66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.6 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -48.83 -36.53 17.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.738 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.9 tp -61.07 -48.89 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.892 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 mtmt -74.86 -31.05 61.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' THR . 53.7 mm-40 -55.58 -51.15 68.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 78' ' ' LYS . 2.6 pp -62.21 -30.31 71.0 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.097 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.588 HD22 ' SD ' ' A' ' 64' ' ' MET . 55.8 mt -72.79 -44.61 61.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.223 0.535 . . . . 0.0 110.418 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -67.22 -23.11 65.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.818 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 35' ' ' GLU . 77.0 p -65.63 -16.91 64.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 111.218 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -85.16 -10.15 57.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.542 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 61.85 12.41 4.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.603 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 5.1 ptp180 -99.9 155.25 36.66 Favored Pre-proline 0 C--O 1.235 0.292 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.24 146.06 39.88 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.072 . . . . 0.0 111.748 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -142.59 151.77 41.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.366 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' A' ' 63' ' ' SER . 35.9 ttpt -103.75 110.07 22.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.764 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -93.13 122.7 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -124.63 139.69 53.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.654 0.264 . . . . 0.0 111.607 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -98.65 108.14 20.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.4 mmpt? -78.64 -65.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.961 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -163.83 161.43 23.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.322 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -119.8 146.85 45.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.759 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.468 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 15.1 m -56.45 160.37 3.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.298 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -65.55 -26.49 67.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.06 0.457 . . . . 0.0 110.246 -178.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.95 -12.17 60.57 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.69 20.83 10.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.058 0.543 . . . . 0.0 111.621 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -98.02 -28.96 13.54 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 65.1 m-85 -113.1 135.36 53.89 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -122.25 122.28 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -93.0 113.32 25.57 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.43 154.62 20.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.743 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.68 122.36 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.0 t -107.36 119.73 57.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.381 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.407 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 15.6 m -111.83 107.98 17.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.588 ' SD ' HD22 ' A' ' 37' ' ' LEU . 26.8 ptm -131.67 163.05 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.523 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 30.2 mt-10 -76.95 150.02 35.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 72' ' ' ARG . 15.3 m -135.76 126.76 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 19.5 t -87.35 -20.69 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.367 . . . . 0.0 110.297 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.9 p30 -146.64 179.99 7.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' HG3' ' NE ' ' A' ' 72' ' ' ARG . 33.4 tt0 -79.26 -30.65 43.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.853 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.452 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 27.7 m -60.71 -40.35 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.415 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.591 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 33.6 mt-10 -57.8 -55.05 39.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.152 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 6.6 ppt_? -63.87 -13.48 45.44 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -95.68 -40.55 9.33 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.957 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.591 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -70.67 -44.17 67.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.845 0.355 . . . . 0.0 110.29 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.545 HD12 ' SD ' ' A' ' 64' ' ' MET . 67.3 mt -56.26 -43.41 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.377 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.63 -38.51 69.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.585 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.21 -37.4 66.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.418 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 78.8 mttt -67.08 -34.99 78.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.927 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -62.47 -28.49 44.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.606 176.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 m -79.56 -1.15 36.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.295 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.72 1.07 48.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 1.6 mt -73.73 -24.84 59.96 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.533 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 32.1 t70 73.16 -37.0 0.37 Allowed 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.779 0.674 . . . . 0.0 111.162 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 82' ' ' LEU . 70.0 mttt -71.08 -14.41 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.265 0.626 . . . . 0.0 111.078 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.79 136.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.636 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.75 -12.34 11.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.568 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.1 tp60 -156.56 137.05 13.09 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.183 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.0 p -138.87 121.79 16.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.3 mp -116.87 137.04 52.48 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.05 -2.6 56.99 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.418 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.719 -0.658 . . . . 0.0 109.672 -179.465 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.05 168.07 13.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.348 -0.454 . . . . 0.0 112.033 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -101.14 93.01 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.271 0.558 . . . . 0.0 109.578 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.1 mtp -82.65 134.13 48.14 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.454 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.88 111.51 3.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.485 2.123 . . . . 0.0 111.944 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -59.36 121.42 11.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.17 166.11 24.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -69.1 -30.53 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -88.7 144.6 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.038 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 68.96 127.04 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.496 0 O-C-N 123.719 0.637 . . . . 0.0 110.328 -173.237 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.97 142.91 99.44 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.455 2.103 . . . . 0.0 111.583 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -70.25 110.3 5.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -82.39 140.26 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.26 126.83 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -132.99 141.93 42.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.395 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 8.6 Cg_exo -74.09 152.87 98.78 Favored 'Cis proline' 0 C--N 1.351 0.674 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.528 -1.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -161.51 161.11 29.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.3 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.7 106.66 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -91.8 147.74 22.76 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.87 138.62 39.52 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.424 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 85.2 m-85 -132.81 106.95 8.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.297 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.801 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.2 tpp180 -83.35 110.74 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.3 t -108.89 117.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -109.31 111.38 35.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 110.4 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.433 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 42.9 mtm -118.74 163.7 16.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.519 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -98.1 20.68 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.531 HG22 ' HE2' ' A' ' 84' ' ' LYS . 9.3 t -147.37 154.36 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.464 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -90.2 -11.63 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.715 174.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.9 79.37 3.47 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -97.31 100.64 12.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.705 0.764 . . . . 0.0 110.097 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 30.9 t -123.39 -64.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.661 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -50.29 -31.51 14.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.6 tp -59.29 -43.66 92.55 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.367 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.688 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 8.8 mtmp? -73.62 -43.43 59.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.035 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' O ' HG23 ' A' ' 39' ' ' THR . 12.3 mm-40 -55.44 -46.37 76.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.97 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.03 -32.16 73.46 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 HD22 ' SD ' ' A' ' 64' ' ' MET . 49.1 mt -71.32 -41.76 69.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 109.663 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.64 -22.67 63.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.027 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -63.21 -31.35 72.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 110.504 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 95.4 m-85 -74.01 -9.8 59.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.346 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 60.41 19.33 8.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.508 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 12.1 ptp180 -112.0 149.9 41.59 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.31 138.78 68.09 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.427 2.085 . . . . 0.0 112.342 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -131.94 154.41 49.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 26.4 tttm -107.37 107.82 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.958 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 tp -95.5 126.96 41.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.356 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 54.7 mm-40 -126.21 130.96 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -111.4 108.97 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.26 -65.08 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.123 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -176.71 164.43 2.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -84.37 145.56 28.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.198 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -65.75 163.6 16.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.345 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' A' ' 53' ' ' LYS . 10.3 tmtt? -57.99 -34.52 70.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.188 0.518 . . . . 0.0 109.665 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.25 -38.32 0.39 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.701 0.8 . . . . 0.0 112.408 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -57.45 -21.08 34.73 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.824 0.449 . . . . 0.0 111.66 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -113.45 143.17 44.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -128.65 131.44 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.542 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.4 m -92.81 111.54 23.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.107 0.48 . . . . 0.0 111.205 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.54 164.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.5 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.5 t30 -150.82 135.67 17.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.9 140.61 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.511 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 11.1 m -134.09 107.31 7.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.608 ' SD ' HG23 ' A' ' 75' ' ' ILE . 26.8 ptm -130.95 156.66 44.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.752 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.51 119.92 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.779 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.467 HG11 HD11 ' A' ' 75' ' ' ILE . 27.7 m -106.82 128.09 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.47 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 15.7 m -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.406 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.8 p30 -166.13 -175.71 3.43 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 37.4 tt0 -58.91 -41.11 86.49 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.114 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.4 m -56.59 -41.59 77.25 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.464 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -61.0 -56.12 24.82 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.554 177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.6 ptt180 -55.97 -34.29 65.57 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 -174.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -75.26 -40.32 58.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.1 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 5.8 pt-20 -71.75 -42.69 66.93 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.177 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.608 HG23 ' SD ' ' A' ' 64' ' ' MET . 73.7 mt -64.55 -40.01 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.679 -178.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -52.59 -41.01 63.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.234 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.465 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 46.2 mt-30 -73.83 -39.07 64.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -53.98 -43.09 69.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.322 0.582 . . . . 0.0 109.723 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.645 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.2 mt -65.84 -28.76 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.259 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.0 t -75.68 -19.62 59.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.853 0.359 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 23.0 mt-30 -80.71 1.61 29.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.5 mt -74.37 -20.55 60.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.802 -176.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 74.24 -34.62 0.28 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.705 0.628 . . . . 0.0 111.577 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HE2' HG22 ' A' ' 27' ' ' THR . 25.1 mtpt -78.42 -9.16 59.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.731 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 8.5 p -91.06 139.49 17.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.4 -30.48 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.326 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.01 132.92 17.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.98 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 p -122.09 116.23 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.303 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.801 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp -105.26 107.94 19.19 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.36 41.95 1.41 Allowed Glycine 0 C--O 1.234 0.116 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.535 -178.148 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.87 -108.97 1.78 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.709 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -90.16 112.15 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.43 155.84 83.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.211 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.05 -40.67 59.04 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.6 2.2 . . . . 0.0 111.505 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -73.87 104.06 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.824 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.38 -31.98 71.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 109.968 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -67.48 101.8 1.04 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.673 174.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.98 136.91 57.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.296 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -64.42 124.35 85.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.64 110.52 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.672 2.248 . . . . 0.0 112.056 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -63.92 109.69 1.86 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -83.28 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.336 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mm -79.57 124.09 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -110.31 140.52 22.54 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.762 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -82.02 166.58 70.99 Favored 'Cis proline' 0 C--N 1.35 0.634 0 C-N-CA 123.595 -1.419 . . . . 0.0 113.222 4.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.9 t -161.08 154.94 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.112 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.78 103.43 10.61 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.2 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -91.69 142.47 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.914 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.99 129.59 51.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.79 114.93 26.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.863 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.6 tpt180 -83.24 110.03 17.73 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.424 HG11 ' HG3' ' A' ' 25' ' ' MET . 42.9 t -108.7 105.47 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.5 mt -100.7 104.71 16.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.495 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 53.1 mtm -113.92 161.9 17.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -88.83 -0.35 57.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 84' ' ' LYS . 13.5 t -130.33 153.86 48.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 51.1 mtmt -95.95 6.46 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.256 0.551 . . . . 0.0 109.713 173.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.34 75.74 2.44 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.216 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.438 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.8 t -87.21 99.25 11.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.919 0.866 . . . . 0.0 109.205 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -137.72 -59.75 0.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.866 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -52.55 -35.93 54.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.042 173.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.2 tp -63.84 -41.15 97.9 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.938 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 54.0 mtmt -72.07 -42.18 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.689 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 39' ' ' THR . 72.3 mm-40 -51.5 -49.05 62.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.6 pp -64.99 -32.65 74.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.579 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD23 ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -72.23 -40.53 67.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.004 0.431 . . . . 0.0 110.688 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 43.7 mt-10 -70.76 -22.46 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.986 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.5 p -58.49 -32.07 68.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.1 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HH ' ' HG2' ' A' ' 74' ' ' GLU . 62.5 m-85 -78.6 -4.7 50.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.617 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 56.9 23.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.735 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 7.4 ptp180 -111.56 156.97 40.55 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.58 144.51 60.84 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.479 2.12 . . . . 0.0 112.37 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -147.62 155.96 42.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.984 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.546 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 85.2 tttt -115.68 123.07 47.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.413 HD21 HG23 ' A' ' 30' ' ' THR . 55.7 tp -103.26 116.05 31.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -125.95 149.54 48.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 111.778 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -105.38 110.3 22.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.0 mmpt? -82.95 -71.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.019 -175.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -142.57 176.86 8.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -147.25 145.14 29.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.805 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.3 t -61.35 158.92 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.783 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -29.43 70.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.969 -178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -89.01 -2.67 58.69 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.71 17.08 8.38 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.479 0.711 . . . . 0.0 112.337 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -77.21 -29.73 54.37 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.013 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -112.93 116.19 29.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.412 -175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -106.04 115.16 29.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -90.56 112.87 24.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.413 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-85 -104.73 161.05 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.928 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.48 122.45 20.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.66 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 86.5 t -115.92 119.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.226 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.546 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 69.8 p -107.26 111.44 23.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.548 ' SD ' HD23 ' A' ' 37' ' ' LEU . 23.4 ptm -139.47 162.84 34.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.277 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.485 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 38.6 mt-10 -77.43 148.82 35.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.69 126.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.3 t -89.53 -27.91 19.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.298 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.5 HD21 ' N ' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -154.28 170.83 20.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.698 176.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.222 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.2 t -52.6 -39.77 61.98 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.129 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -76.08 -42.45 47.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.2 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 5.0 tmm_? -56.78 -34.77 67.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.048 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -82.93 -53.42 5.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.9 tt0 -53.85 -50.34 66.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -175.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 79' ' ' ILE . 84.5 mt -60.06 -43.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.372 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.53 -35.22 70.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.364 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -76.35 -38.75 55.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.583 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.0 mmtp -56.93 -43.85 81.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.267 0.555 . . . . 0.0 110.065 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.576 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.3 mt -63.46 -29.2 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.519 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.508 ' HA ' HG11 ' A' ' 85' ' ' VAL . 63.0 p -81.59 -17.34 48.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.105 -0.372 . . . . 0.0 111.411 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 24.7 mt-30 -78.75 1.56 22.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.651 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 7.7 mt -78.06 -26.5 48.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.535 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.9 t70 72.57 -32.13 0.24 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.2 mttt -66.6 -20.52 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.493 0.717 . . . . 0.0 110.843 176.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' A' ' 80' ' ' SER . 13.5 p -88.49 141.69 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.996 -176.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.05 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.252 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -148.98 137.3 20.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.737 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -129.91 127.15 39.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.16 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.863 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? -110.41 107.06 16.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.271 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.5 21.14 0.4 Allowed Glycine 0 CA--C 1.517 0.174 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.248 1.022 0 C-N-CA 123.674 0.789 . . . . 0.0 109.112 179.613 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.82 -155.69 31.14 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.331 -0.461 . . . . 0.0 112.171 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -99.82 113.32 25.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.8 ptm -94.43 139.06 22.25 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.41 148.57 73.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.448 2.099 . . . . 0.0 111.632 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -81.76 101.95 10.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -78.3 91.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -74.32 127.42 32.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.712 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -146.19 138.86 25.47 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.1 mmtp 68.11 142.9 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.654 0.596 . . . . 0.0 110.896 -174.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.1 133.47 33.33 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 111.637 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -66.32 110.67 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 0.0 110.318 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -80.63 135.45 25.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.704 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mm -86.43 104.29 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.474 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -95.99 138.84 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.155 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.578 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 85.4 Cg_endo -85.08 160.38 64.9 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.564 -1.431 . . . . 0.0 113.286 0.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -162.39 158.33 23.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.251 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -73.34 110.36 7.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -91.96 134.36 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -95.72 118.66 32.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.325 . . . . 0.0 110.657 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -109.4 145.46 36.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.957 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.756 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 15.7 tpp85 -116.48 113.55 22.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.506 HG12 ' HG3' ' A' ' 25' ' ' MET . 23.0 t -110.83 103.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -173.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.428 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 69.6 mt -92.54 105.18 16.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 0.0 110.115 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.506 ' HG3' HG12 ' A' ' 23' ' ' VAL . 82.0 mtp -108.0 153.53 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.437 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 p -93.29 21.18 6.26 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.129 0.49 . . . . 0.0 110.839 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 84' ' ' LYS . 15.4 t -155.65 146.77 22.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 9.4 mtmp? -89.08 -1.48 58.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.707 172.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -76.83 72.36 3.42 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.512 0.672 . . . . 0.0 109.334 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -87.07 124.9 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.108 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -145.17 -70.62 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.114 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.52 ' HB ' HD23 ' A' ' 82' ' ' LEU . 1.3 m -51.33 -32.82 26.77 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.4 tp -57.42 -45.81 84.22 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.966 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.03 -40.5 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -58.09 -43.92 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -65.27 -31.37 72.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 110.422 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.625 HD21 ' SD ' ' A' ' 64' ' ' MET . 61.2 mt -71.47 -40.41 70.28 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.337 0.589 . . . . 0.0 110.161 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -60.94 -27.11 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.918 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.9 p -61.81 -24.51 66.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -84.04 -7.65 59.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 57.34 27.46 13.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.567 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.5 ptp180 -119.15 153.46 53.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.725 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.01 155.09 57.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -147.85 156.87 43.17 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -101.28 117.74 35.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.617 177.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -109.31 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.051 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -138.91 155.52 48.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -103.48 128.63 50.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.513 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -81.87 -77.45 0.22 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -172.47 152.29 2.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.7 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.555 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -92.19 136.93 32.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.9 m -64.42 87.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.34 -176.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.674 ' HG3' ' H ' ' A' ' 54' ' ' ASN . 10.0 ptpp? 35.08 -71.23 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.334 1.454 . . . . 0.0 114.489 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.674 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 60.8 t30 -66.34 -9.75 36.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.932 0.493 . . . . 0.0 111.026 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.555 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 73.26 14.77 4.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.71 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -76.59 -28.75 56.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.55 137.13 54.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -117.01 116.52 27.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -90.01 114.87 26.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.054 0.454 . . . . 0.0 110.466 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.428 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 94.6 m-85 -104.9 159.51 15.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.679 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -131.32 122.56 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.029 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.21 118.87 57.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.149 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -111.82 107.15 16.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.656 ' SD ' HD11 ' A' ' 75' ' ' ILE . 24.0 ptm -129.31 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.405 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 32.5 mt-10 -70.56 143.21 51.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.12 126.94 67.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 167.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 t -96.54 -11.23 25.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.716 0.293 . . . . 0.0 110.431 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 7.8 p30 -159.7 179.44 8.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.253 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.25 -30.08 48.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.463 -173.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.428 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 34.4 t -59.12 -44.47 92.02 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.29 -42.33 98.47 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.354 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.412 HH21 ' CB ' ' A' ' 91' ' ' SER . 51.8 ttt180 -54.31 -51.95 63.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 53.9 m-80 -72.23 -35.32 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.994 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 31.0 tt0 -66.3 -52.54 46.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.656 HD11 ' SD ' ' A' ' 64' ' ' MET . 89.6 mt -57.94 -41.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.844 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.84 -40.36 69.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 74.6 mt-30 -70.97 -43.44 68.08 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.474 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 35.6 mmtp -55.12 -43.31 73.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.185 0.517 . . . . 0.0 110.539 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.7 mt -60.79 -29.26 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.148 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -82.75 -3.03 55.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.612 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -93.19 1.14 57.24 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.2 mt -76.63 -23.34 53.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.071 -175.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.462 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.7 t70 73.24 -40.64 0.48 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.178 0.591 . . . . 0.0 110.527 -172.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 82' ' ' LEU . 92.8 mttt -58.29 -28.4 64.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.305 0.642 . . . . 0.0 111.427 177.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 11.5 p -84.41 140.4 16.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.36 -27.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.876 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.428 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.4 tp60 -141.14 122.54 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.2 p -112.68 127.44 56.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.337 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.756 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.3 mp -123.01 164.44 18.55 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 176.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.46 -25.19 0.76 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.412 ' CB ' HH21 ' A' ' 72' ' ' ARG . 34.9 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.684 -0.674 . . . . 0.0 109.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.664 0.268 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.37 -118.47 0.93 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -142.41 98.51 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.63 118.93 72.18 Favored Pre-proline 0 C--O 1.237 0.403 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.56 139.37 31.14 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.626 2.217 . . . . 0.0 112.053 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -72.52 133.17 44.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.05 173.44 6.52 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.163 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.7 p -84.57 47.58 1.39 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.539 0.685 . . . . 0.0 109.616 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.63 157.7 29.21 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.613 -176.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.4 mmpt? -69.52 149.04 97.11 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.897 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.27 155.28 68.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.339 2.026 . . . . 0.0 111.217 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -68.88 110.92 4.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -108.94 110.42 31.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -85.57 141.38 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.526 -173.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.401 ' OH ' ' HD3' ' A' ' 72' ' ' ARG . 96.4 m-85 -134.37 132.76 21.13 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.268 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.5 Cg_endo -75.14 157.8 99.23 Favored 'Cis proline' 0 C--N 1.354 0.861 0 C-N-CA 123.926 -1.281 . . . . 0.0 113.339 0.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -171.06 163.34 7.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.91 138.2 39.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.431 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -120.88 139.19 53.54 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.15 119.19 32.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.649 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -110.75 138.46 47.12 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.739 0.416 . . . . 0.0 110.56 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.686 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.3 tpp180 -111.16 110.94 21.68 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.3 t -113.91 108.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.779 -174.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.51 111.21 31.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.492 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 79.5 mtp -115.24 165.47 12.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -98.49 14.62 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -157.62 161.22 38.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 47.0 mtpt -97.66 -8.36 28.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.114 0.483 . . . . 0.0 109.916 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.11 79.45 5.51 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.421 ' O ' HG21 ' A' ' 30' ' ' THR . 9.7 t -111.95 104.17 12.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.587 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 26.2 m -112.15 -49.04 2.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.226 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 m -54.29 -35.85 63.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.123 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.388 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 48.4 mtmt -66.35 -45.37 80.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' HG21 ' A' ' 39' ' ' THR . 46.6 mt-10 -54.03 -47.37 71.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.842 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -66.61 -33.13 74.98 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.673 HD22 ' SD ' ' A' ' 64' ' ' MET . 84.4 mt -69.88 -39.11 76.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.9 mt-10 -71.08 -22.35 62.12 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.091 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.44 HG21 ' O ' ' A' ' 35' ' ' GLU . 82.7 p -63.64 -23.2 67.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.924 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE2' HG12 ' A' ' 75' ' ' ILE . 86.3 m-85 -82.94 -8.06 59.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.56 22.28 13.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 8.8 ptp180 -118.61 156.05 51.76 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.98 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.17 158.51 54.67 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.626 2.218 . . . . 0.0 112.677 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.25 173.36 16.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -114.96 143.2 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.511 174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.8 tp -127.53 106.37 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.38 120.36 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 111.159 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.78 127.2 32.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.064 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -90.61 -73.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.667 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -155.66 148.55 24.32 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.891 0.377 . . . . 0.0 110.771 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.1 t -87.54 146.54 25.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.463 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 35.8 t -59.29 170.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.36 -47.35 75.9 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.547 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -82.93 1.66 38.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.2 9.41 4.75 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -86.2 -22.67 26.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.145 0.498 . . . . 0.0 110.837 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.463 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 71.1 m-85 -112.74 145.74 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -129.21 118.47 22.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.834 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -87.05 113.3 22.69 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.964 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.421 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 90.8 m-85 -105.07 157.51 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.237 0.541 . . . . 0.0 110.164 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -117.67 121.58 41.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.48 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.87 119.39 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 p -128.23 123.98 35.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.673 ' SD ' HD22 ' A' ' 37' ' ' LEU . 21.0 ptm -146.59 160.23 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.14 145.94 33.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -126.04 127.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 42.2 m -83.96 -27.24 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.404 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.1 p30 -141.78 178.16 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.298 176.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG3' ' NH1' ' A' ' 72' ' ' ARG . 36.0 tt0 -78.95 -32.88 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.833 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.404 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 13.4 m -56.93 -37.91 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.107 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.5 -39.56 88.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' NH1' ' HG3' ' A' ' 69' ' ' GLU . 42.6 ttp180 -54.66 -50.47 68.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.191 0.52 . . . . 0.0 110.347 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.484 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 7.1 m-20 -70.37 -43.93 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.258 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -51.22 -59.22 4.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.445 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.507 HD11 ' SD ' ' A' ' 64' ' ' MET . 69.7 mt -60.71 -38.39 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.23 -45.21 88.12 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.522 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 47.1 mt-30 -63.75 -44.51 93.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.216 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -60.3 -43.76 96.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.238 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.539 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.4 mt -58.71 -29.68 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.275 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -85.56 7.5 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.445 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -103.69 7.46 37.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 3.9 mt -72.1 -20.23 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.154 -0.342 . . . . 0.0 110.545 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 19.2 t70 73.31 -42.93 0.54 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.999 0.812 . . . . 0.0 110.348 -172.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.9 mttt -63.15 -25.87 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 9.0 p -82.79 127.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.367 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.4 m -103.48 -16.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.481 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -153.85 135.92 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.974 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -131.85 111.2 11.39 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.373 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.686 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.1 mm? -103.8 115.22 30.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.86 28.85 7.37 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.878 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.252 1.186 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.482 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.66 144.97 2.23 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.212 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -126.42 102.23 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.191 0.519 . . . . 0.0 110.135 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.3 mpp? -80.05 159.56 70.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.321 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.15 166.19 6.05 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.714 2.276 . . . . 0.0 112.145 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -75.63 91.64 2.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.183 0.516 . . . . 0.0 111.299 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.68 -171.17 2.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.261 172.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.5 m -74.74 68.28 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.192 0.52 . . . . 0.0 110.143 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 9.0 mmpt? -139.28 134.75 33.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 31.9 mmtp 70.77 151.6 0.14 Allowed Pre-proline 0 N--CA 1.468 0.471 0 O-C-N 123.779 0.674 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.09 104.15 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.196 1.931 . . . . 0.0 110.737 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -66.73 119.71 12.27 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -105.79 120.83 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.952 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.52 107.28 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.084 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -74.29 152.3 87.99 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.452 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 96.1 Cg_endo -80.84 164.89 77.44 Favored 'Cis proline' 0 C--N 1.356 0.946 0 C-N-CA 123.943 -1.274 . . . . 0.0 112.991 1.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -155.36 149.09 25.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.231 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.74 103.44 6.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.661 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -98.65 146.11 26.18 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.293 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -104.09 141.3 36.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 74.1 m-85 -128.33 116.98 20.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.175 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.66 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 4.3 tpp180 -80.69 110.98 16.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.3 t -112.09 107.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 -176.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.0 mt -99.3 109.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.3 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.534 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 78.8 mtp -114.17 150.58 33.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 23.3 p -88.37 33.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 110.883 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.543 HG22 ' HE3' ' A' ' 84' ' ' LYS . 8.7 t -156.9 156.05 32.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -93.24 -9.74 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 171.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -87.24 83.74 7.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.277 0.561 . . . . 0.0 109.997 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.593 ' HG1' HD21 ' A' ' 33' ' ' LEU . 4.6 t -84.2 99.33 10.46 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 p -111.94 -77.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.417 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.481 ' HB ' HD23 ' A' ' 82' ' ' LEU . 6.7 m -51.21 -30.96 18.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 -177.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.593 HD21 ' HG1' ' A' ' 30' ' ' THR . 52.4 tp -59.07 -53.5 57.63 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' A' ' 30' ' ' THR . 54.4 mtmt -66.07 -38.18 87.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.474 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 31' ' ' SER . 45.5 mm-40 -56.15 -51.0 69.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -66.41 -31.93 73.0 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -176.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD21 ' SD ' ' A' ' 64' ' ' MET . 95.3 mt -65.06 -42.18 94.43 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.963 0.411 . . . . 0.0 110.624 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 48.7 mt-10 -67.29 -24.77 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.874 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 p -64.48 -18.68 65.01 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.651 0.262 . . . . 0.0 111.517 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -82.37 -4.96 58.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.125 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 61.86 17.71 9.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.3 ptp180 -115.07 154.79 47.18 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.16 147.58 67.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.384 2.056 . . . . 0.0 112.1 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -137.65 172.92 12.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.444 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 58.9 tptt -135.61 122.6 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.65 107.4 16.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -119.45 129.16 54.62 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.743 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 86.1 t80 -84.81 107.66 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -86.94 -53.42 4.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -155.45 163.7 39.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.007 -173.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.408 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 15.1 t -128.08 145.61 50.94 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.763 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 16.5 t -62.19 160.12 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -62.13 -33.87 75.29 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -79.21 -10.05 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.306 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.23 17.51 4.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.225 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' THR . 39.3 ttmt -95.45 -26.4 15.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.488 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 78.5 m-85 -113.4 118.51 34.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.769 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -109.44 127.83 54.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.211 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -91.86 112.24 24.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.962 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -105.79 151.15 24.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.412 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -120.64 121.28 37.98 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 88.2 t -107.48 119.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.769 177.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -119.2 114.36 22.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.91 0.386 . . . . 0.0 110.069 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.572 ' SD ' HD21 ' A' ' 37' ' ' LEU . 23.9 ptm -140.99 165.54 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.883 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 35.1 mt-10 -73.67 150.97 40.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.895 0.378 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.45 126.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 167.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 38.5 t -90.49 -33.97 15.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.138 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.3 p30 -130.63 173.86 10.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.207 0.527 . . . . 0.0 110.596 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.617 ' HG3' HH21 ' A' ' 72' ' ' ARG . 45.0 tt0 -79.13 -26.96 42.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.601 -175.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.443 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 22.6 t -64.59 -39.46 93.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.412 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.67 -38.61 75.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.647 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.617 HH21 ' HG3' ' A' ' 69' ' ' GLU . 13.0 ttp180 -59.65 -26.73 65.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.57 -45.44 10.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.085 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 33.9 tt0 -58.93 -56.24 24.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.101 -178.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.1 mt -56.96 -41.46 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.444 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.56 -43.37 75.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.503 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 26.5 mt-30 -69.17 -41.43 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.72 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 75.8 mmtt -56.34 -42.06 77.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 109.999 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.567 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.1 mt -62.83 -29.42 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.988 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 t -77.96 -21.58 50.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.1 mt-30 -71.23 -10.37 59.65 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.772 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -67.48 -35.53 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.393 -176.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.4 t70 73.18 -37.65 0.39 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.496 0.719 . . . . 0.0 111.167 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.543 ' HE3' HG22 ' A' ' 27' ' ' THR . 14.2 mtpp -57.37 -27.18 62.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 175.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 8.9 p -84.35 139.96 16.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.606 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 m -109.45 -24.82 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -141.43 119.35 11.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.5 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.8 p -112.01 122.74 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.203 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.66 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 6.7 mp -107.29 124.99 50.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.433 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -144.98 79.74 0.24 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.573 -176.828 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.816 0.341 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.41 128.38 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.479 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -112.8 91.88 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.5 mpp? -104.06 113.06 65.64 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.257 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.37 117.29 3.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.687 2.258 . . . . 0.0 111.564 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -93.57 19.1 8.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.362 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.43 -40.85 72.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -118.87 32.62 6.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.273 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -51.73 131.05 29.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.972 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.579 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -98.84 139.77 21.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.764 173.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.76 124.94 12.51 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.629 2.219 . . . . 0.0 112.394 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -69.78 116.89 10.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.04 133.8 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mm -76.44 124.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.459 -175.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -135.52 129.01 18.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.392 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.553 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 83.0 Cg_endo -78.28 163.54 86.78 Favored 'Cis proline' 0 C--N 1.352 0.736 0 C-N-CA 123.653 -1.394 . . . . 0.0 113.031 1.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -167.54 165.36 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.348 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -83.77 106.94 15.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.434 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -96.67 143.59 27.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.108 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -98.09 137.28 37.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -124.02 119.89 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.137 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.841 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 9.8 tpt180 -82.92 109.41 17.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 t -109.29 104.26 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.23 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -101.2 102.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.873 0.368 . . . . 0.0 110.493 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.468 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 52.1 mtm -112.59 157.44 21.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -94.91 32.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.569 HG21 ' HE2' ' A' ' 84' ' ' LYS . 8.8 t -153.32 155.28 36.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.335 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HZ3' ' HB3' ' A' ' 28' ' ' LYS . 3.4 mmmp? -93.97 -9.27 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.59 85.8 6.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.043 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 3.8 t -93.02 100.36 12.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -125.89 -64.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.835 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -52.39 -35.14 50.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.875 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 60.2 tp -58.39 -54.51 46.19 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.544 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HE2' ' O ' ' A' ' 30' ' ' THR . 52.2 mtmt -64.42 -39.79 94.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' HG23 ' A' ' 39' ' ' THR . 78.0 mm-40 -54.66 -48.81 71.88 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 78' ' ' LYS . 1.6 pp -64.57 -32.75 74.53 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD23 ' SD ' ' A' ' 64' ' ' MET . 65.2 mt -68.9 -41.73 77.86 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.351 0.596 . . . . 0.0 110.21 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.8 mt-10 -74.62 -20.35 59.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.001 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 35' ' ' GLU . 51.8 p -63.36 -28.24 69.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 111.108 177.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.09 -9.59 58.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.053 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 60.79 28.29 18.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.988 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.563 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 5.6 ptp180 -114.72 157.47 42.91 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.174 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.39 158.17 54.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 0.0 111.767 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -153.11 163.54 39.67 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.211 0.529 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 38.2 ttpt -115.51 103.68 10.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.521 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -91.16 120.15 31.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.86 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -126.41 140.88 52.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.847 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -109.18 107.98 18.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.1 -67.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.995 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 51' ' ' THR . 41.2 t-20 -170.63 157.05 5.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.574 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -89.08 145.52 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' ASN . 31.9 m -69.27 86.26 0.4 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.268 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 53' ' ' LYS . 10.4 mtmp? 47.0 -82.36 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.411 1.085 . . . . 0.0 113.263 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' SER . 60.1 t30 -82.26 23.94 0.7 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 111.366 -172.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.574 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 59.76 20.63 9.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.86 -40.1 75.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.573 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -132.87 151.04 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -117.99 114.84 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -87.91 112.14 22.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.411 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.51 158.1 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.511 173.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.92 122.14 20.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.09 119.49 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.9 m -107.25 109.31 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.562 ' SD ' HD23 ' A' ' 37' ' ' LEU . 25.8 ptm -134.62 160.49 37.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.563 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 26.9 mt-10 -73.21 146.02 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 17.6 m -134.12 127.48 51.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.553 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 36.0 t -81.41 -24.41 36.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -177.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -162.59 176.09 10.74 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.168 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 35.2 tt0 -65.81 -31.07 71.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -57.1 -42.46 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.346 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.94 -48.01 67.1 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.273 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.512 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 8.6 ptm180 -59.35 -35.96 74.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.599 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 80.6 m-20 -73.04 -43.07 62.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.205 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -57.18 -53.3 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.176 0.512 . . . . 0.0 110.25 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 HG23 ' SD ' ' A' ' 64' ' ' MET . 63.8 mt -58.54 -45.66 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.599 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.87 -39.24 62.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.128 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.2 mt-30 -71.49 -42.96 67.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.232 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' HB2' HD11 ' A' ' 36' ' ' LEU . 72.9 mttt -64.17 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 73.2 mt -59.98 -29.16 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.441 ' HA ' HG13 ' A' ' 85' ' ' VAL . 22.8 t -84.43 -18.53 35.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 27.6 mt-30 -79.61 7.16 8.85 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.979 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 9.6 mt -78.1 -25.15 47.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.1 t70 74.39 -36.95 0.34 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.619 0.767 . . . . 0.0 111.273 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.569 ' HE2' HG21 ' A' ' 27' ' ' THR . 26.9 mtpt -68.06 -12.65 61.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.183 0.516 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.6 p -95.47 135.09 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.609 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.4 -27.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -151.12 128.83 11.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.82 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 p -120.59 118.16 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.249 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.841 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -108.03 105.08 14.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.69 -17.58 23.21 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.324 177.833 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.25 160.38 34.04 Favored Glycine 0 C--O 1.237 0.284 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.994 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -73.42 107.7 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.5 ptp -50.03 129.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.998 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.81 95.31 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.584 2.19 . . . . 0.0 111.694 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -79.79 166.08 22.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.299 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.75 151.75 45.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -67.39 131.64 46.1 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HB2' ' HZ2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 66.57 95.56 0.06 Allowed 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.628 0.58 . . . . 0.0 109.914 -172.039 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.85 139.68 20.37 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.793 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.87 137.02 78.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.506 2.137 . . . . 0.0 111.76 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.9 m -69.56 110.87 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.012 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mm -84.36 117.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.908 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mm -80.38 113.75 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -102.25 141.27 22.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -80.3 161.79 84.14 Favored 'Cis proline' 0 C--N 1.351 0.675 0 C-N-CA 123.67 -1.388 . . . . 0.0 112.995 1.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -164.93 163.84 20.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.594 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.17 103.39 11.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.839 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -93.8 140.59 29.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.92 137.07 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.842 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 98.5 m-85 -123.18 115.93 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.879 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.898 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 14.2 tpt180 -84.19 112.03 19.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.5 t -120.25 140.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 55.3 mt -133.93 122.15 41.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 172.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.5 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 68.9 mtm -126.59 161.68 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -92.92 12.8 22.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.634 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -134.85 140.7 46.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.066 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -82.37 -16.96 47.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -87.29 92.99 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.656 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.555 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 4.9 t -103.4 101.19 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.894 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.9 m -104.33 -60.8 1.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.991 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -49.37 -42.11 41.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' HB3' ' OG1' ' A' ' 30' ' ' THR . 9.7 tt -61.15 -38.39 86.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.494 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HZ3' ' HB2' ' A' ' 34' ' ' LYS . 10.4 mtmp? -75.04 -38.37 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.632 0.253 . . . . 0.0 110.365 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 31' ' ' SER . 30.7 mm-40 -57.28 -46.79 82.78 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 78' ' ' LYS . 4.3 pp -65.18 -31.05 72.04 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -73.48 -39.93 64.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.094 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 61.3 mm-40 -61.56 -30.53 70.71 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.33 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -67.04 -11.79 58.06 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.96 -9.68 42.13 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 54.62 36.62 26.43 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.772 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -129.6 154.92 80.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.19 154.41 72.38 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.283 1.989 . . . . 0.0 111.949 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -155.14 149.94 26.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.137 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 56.3 tttp -96.62 103.17 15.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 tp -86.34 106.23 17.24 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 20.5 mm-40 -109.42 141.41 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.783 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' HE1' ' HB3' ' A' ' 58' ' ' TYR . 82.2 t80 -111.41 106.81 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 166.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 61' ' ' ASN . 75.3 mmtt -84.34 -44.94 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.257 -171.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -171.15 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.663 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -127.16 146.44 50.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 p -56.99 155.7 7.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.31 -29.42 70.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.664 0.269 . . . . 0.0 111.13 -175.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -78.54 -10.0 59.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 63.47 28.24 15.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.045 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -102.76 -23.3 13.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.604 176.33 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -116.71 114.75 24.46 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.071 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.401 ' HB3' ' HE1' ' A' ' 48' ' ' PHE . 40.5 m-85 -104.46 123.94 48.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.283 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -94.87 113.04 24.73 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 111.09 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -105.08 163.97 12.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.539 176.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 6.3 t30 -145.91 123.27 11.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 59.4 t -102.16 119.22 50.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 15.7 m -113.41 105.74 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.419 ' SD ' HD12 ' A' ' 75' ' ' ILE . 25.7 ptm -134.66 153.45 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 -173.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.13 117.41 14.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.582 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.5 m -105.77 127.57 60.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 22.1 t -85.46 -22.96 28.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -155.98 -179.07 7.78 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.47 -29.84 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.184 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -63.19 -31.51 72.68 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.1 mt-10 -69.05 -45.29 70.78 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.831 173.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.483 HH21 ' HA ' ' A' ' 91' ' ' SER . 39.3 ttt180 -54.19 -53.3 55.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.73 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -59.67 -35.11 73.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 28.4 tt0 -68.51 -48.15 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 71' ' ' GLU . 70.1 mt -62.07 -37.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.607 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -58.82 -45.03 90.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.8 mt-30 -64.04 -43.54 95.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.307 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.512 ' HB3' HD23 ' A' ' 36' ' ' LEU . 74.1 mmtt -53.09 -47.24 68.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.196 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -63.76 -29.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.879 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 t -80.64 -10.26 59.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.833 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.9 mt-30 -88.1 -9.54 52.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt -70.38 -26.62 63.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.749 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.1 t70 73.02 -34.59 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.627 0.58 . . . . 0.0 111.155 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 82' ' ' LEU . 81.7 mttt -68.54 -11.85 60.47 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.382 0.673 . . . . 0.0 111.37 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.5 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 14.8 p -84.97 142.13 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.939 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.4 -2.49 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.6 tp-100 -159.1 127.65 5.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.013 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 p -133.1 112.79 12.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.32 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.898 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.4 mp -120.74 113.63 20.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 174.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.81 7.43 35.98 Favored Glycine 0 C--O 1.235 0.189 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.483 ' HA ' HH21 ' A' ' 72' ' ' ARG . 2.8 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.506 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.6 -81.87 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.125 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -141.96 145.26 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.3 ptp -80.07 121.52 82.05 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.897 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.449 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 61.5 Cg_endo -73.02 97.34 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.426 2.084 . . . . 0.0 110.935 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -57.3 94.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.259 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.1 t70 55.41 34.93 23.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.952 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' A' ' 5' ' ' PRO . 27.7 m -76.61 11.96 1.46 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.35 138.55 49.33 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.241 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -87.03 147.53 43.06 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -60.76 138.22 78.05 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.573 2.182 . . . . 0.0 112.665 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.0 m -65.18 114.96 5.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.117 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -82.05 139.92 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.448 -177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.0 mp -76.84 126.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.274 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -131.73 137.3 30.02 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.697 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.8 Cg_endo -80.2 163.49 82.08 Favored 'Cis proline' 0 C--N 1.351 0.689 0 C-N-CA 123.715 -1.369 . . . . 0.0 112.755 -0.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 51.4 t -172.09 164.9 6.18 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.112 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 62.2 mt -70.68 109.73 5.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.177 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -94.0 128.1 40.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -98.58 124.26 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.153 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 63.7 m-85 -100.48 135.48 41.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.186 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.81 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.5 tpt180 -92.53 109.07 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG11 ' HG3' ' A' ' 25' ' ' MET . 40.1 t -112.02 131.63 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -118.91 107.82 22.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.236 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.419 ' HG3' HG11 ' A' ' 23' ' ' VAL . 80.6 mtp -115.77 159.2 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 p -96.48 14.63 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.499 HG23 ' HE3' ' A' ' 84' ' ' LYS . 11.2 t -138.6 157.28 46.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -175.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -97.81 -7.47 30.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.979 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.89 100.2 9.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.979 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 30' ' ' THR . 9.1 t -130.41 100.48 5.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.857 0.837 . . . . 0.0 110.549 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 35.5 t -98.05 -43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.642 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.7 m -54.89 -29.1 55.0 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 HD13 ' A' ' 82' ' ' LEU . 39.5 tp -61.07 -45.35 95.11 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.386 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -73.85 -33.53 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.2 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 31' ' ' SER . 19.0 mm-40 -56.07 -47.73 77.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.0 pp -65.55 -30.62 71.39 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -74.25 -35.66 63.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.62 -25.0 67.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -62.16 -36.55 82.19 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 110.097 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 87.9 m-85 -80.95 -27.74 35.93 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 57.33 31.78 20.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.557 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -110.43 150.07 41.11 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.35 137.87 83.58 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.674 2.249 . . . . 0.0 112.015 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -144.52 150.55 37.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 36.3 ttpt -112.41 114.71 27.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 tt -109.12 107.1 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 13.2 mm-40 -125.04 154.52 41.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.266 -173.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -92.99 108.44 20.0 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 68.9 mmtt -74.85 -61.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.262 -176.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -166.57 170.23 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.652 -173.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -142.82 145.98 33.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -57.71 150.5 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -53.98 -33.64 57.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -76.4 -15.02 60.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 26.61 12.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.472 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -89.33 -36.64 15.42 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.3 124.22 51.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.206 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -110.79 131.78 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.033 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -100.88 113.32 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -104.9 165.8 10.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.318 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.9 t30 -124.23 128.67 49.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.582 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.75 118.45 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 33.0 m -126.41 106.88 9.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 75' ' ' ILE . 23.4 ptm -135.31 151.93 51.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.199 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.05 115.59 8.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.38 127.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 6.6 m -61.75 -44.73 96.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.555 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.53 -167.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.987 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.0 -33.72 67.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.681 0.277 . . . . 0.0 111.415 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 t -56.33 -47.6 78.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.96 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 11.9 mp0 -66.37 -50.13 64.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.002 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -62.72 -14.89 49.76 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.055 -177.207 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -85.74 -48.15 9.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.517 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 13.8 pt-20 -64.62 -44.49 90.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.784 -176.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 64' ' ' MET . 64.1 mt -62.88 -40.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.661 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.82 -38.45 67.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.434 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.457 HE21 ' HA ' ' A' ' 74' ' ' GLU . 47.5 mt-30 -71.17 -37.18 72.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.706 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 70.4 mmtt -60.23 -37.71 81.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.117 0.485 . . . . 0.0 109.92 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.3 mm -60.05 -29.3 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.103 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.1 t -77.3 -19.3 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.64 6.13 21.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.1 mt -79.28 -20.66 47.47 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.8 t70 75.82 -32.87 0.21 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.834 0.709 . . . . 0.0 111.661 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HE3' HG23 ' A' ' 27' ' ' THR . 8.6 mtpp -86.89 6.08 33.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.934 0.397 . . . . 0.0 111.148 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 133.11 49.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.454 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -99.13 -33.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.301 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.475 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.3 tp-100 -139.96 136.79 34.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -127.75 120.97 29.08 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.81 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 mp -115.67 128.35 55.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.5 59.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.38 -176.281 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.668 0.27 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.74 32.69 74.48 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.9 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -93.55 121.15 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.442 0.297 . . . . 0.0 110.686 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt -83.56 154.58 65.61 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.81 96.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.493 2.129 . . . . 0.0 111.769 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 p -94.35 -48.12 6.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.731 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.17 145.23 36.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.476 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -87.1 150.93 23.65 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 11.2 mmpt? -88.77 149.65 23.33 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 68.15 150.29 0.12 Allowed Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 123.536 0.523 . . . . 0.0 111.704 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.85 141.07 29.79 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.451 2.1 . . . . 0.0 111.846 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 m -84.97 111.47 19.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.059 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mm -82.04 141.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 mm -82.67 126.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 -175.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -137.7 133.42 17.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.774 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.1 Cg_exo -79.77 146.35 75.44 Favored 'Cis proline' 0 C--N 1.351 0.704 0 C-N-CA 123.988 -1.255 . . . . 0.0 112.211 -1.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 49.9 t -159.39 173.71 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -81.81 123.53 28.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.627 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -106.79 141.78 37.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.7 119.03 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.666 -175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.91 124.52 52.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.022 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.654 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 19.1 tpp85 -98.15 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.5 116.8 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.507 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.9 mt -106.89 116.47 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 65.5 mtm -121.33 166.87 13.44 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -98.72 16.4 22.24 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.16 0.505 . . . . 0.0 111.07 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -135.34 159.01 42.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.657 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -90.8 -14.69 31.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 170.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.79 85.11 4.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -91.78 99.75 12.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.346 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 15.0 m -128.25 -64.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.638 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -49.5 -36.74 23.97 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.155 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 56.3 tp -59.54 -42.33 92.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HA ' HD11 ' A' ' 37' ' ' LEU . 52.5 mtmt -75.25 -34.23 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.69 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' HG21 ' A' ' 39' ' ' THR . 15.2 mm-40 -55.82 -51.2 68.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.79 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.9 pp -62.23 -31.04 71.53 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.517 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.507 HD23 ' SD ' ' A' ' 64' ' ' MET . 72.1 mt -69.73 -42.65 73.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.18 -23.22 61.24 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.991 -175.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.454 HG21 ' O ' ' A' ' 35' ' ' GLU . 68.7 p -64.37 -21.3 66.58 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.053 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -84.04 -9.05 58.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.633 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 60.57 33.06 20.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.494 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 16.3 ptp180 -123.98 153.78 67.69 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.85 154.49 70.94 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.456 2.104 . . . . 0.0 112.444 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -148.75 160.2 43.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.838 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 4.1 tmmm? -117.27 110.75 18.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.2 tp -95.29 134.47 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 156.4 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.644 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -109.12 135.87 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mmpm? -105.05 -73.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.485 0.184 . . . . 0.0 111.132 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -146.19 167.29 23.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -131.29 146.88 52.49 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.269 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.0 t -62.45 165.03 6.56 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.423 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -56.99 -40.36 76.43 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.66 9.62 31.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.93 26.13 12.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.381 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HA ' ' HZ2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -80.47 -28.71 37.5 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 -179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.75 138.85 54.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.235 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -123.49 122.11 37.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -97.85 114.59 26.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.888 0.375 . . . . 0.0 110.754 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.35 145.07 31.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.547 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -107.05 122.48 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.562 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 HD21 ' A' ' 33' ' ' LEU . 67.1 t -124.83 119.74 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 41.8 p -120.73 119.47 32.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.5 ptm -137.77 162.72 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.396 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.75 143.46 47.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -134.01 128.11 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.218 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.549 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 28.2 t -85.69 -27.92 25.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -152.6 -179.69 7.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.08 0.467 . . . . 0.0 111.312 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -75.02 -28.56 60.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.539 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 -39.82 83.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.353 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' HB3' ' A' ' 74' ' ' GLU . 79.5 mt-10 -72.68 -27.25 61.97 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -56.13 -45.08 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 109.502 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.6 m-20 -77.91 -38.8 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HB3' ' HA ' ' A' ' 71' ' ' GLU . 13.4 tp10 -56.54 -58.68 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.974 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 64' ' ' MET . 65.9 mt -63.14 -35.43 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.505 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -55.85 -46.07 78.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.267 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.6 mt-30 -63.47 -43.49 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.462 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -55.48 -44.62 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.76 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.9 mt -62.64 -29.35 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.841 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.9 p -85.29 3.21 40.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.817 -0.552 . . . . 0.0 111.728 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 21.2 mt-30 -100.28 14.99 29.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.575 0.226 . . . . 0.0 111.135 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 32.9 mt -82.64 -23.0 34.48 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -175.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 73.36 -47.49 0.66 Allowed 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.656 0.598 . . . . 0.0 110.897 -174.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -63.0 -23.99 67.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.212 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 12.5 p -79.01 140.98 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.365 -175.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.16 -22.52 4.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.062 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.507 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.5 tp-100 -141.89 132.32 25.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 110.358 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.463 HG22 HG23 ' A' ' 79' ' ' ILE . 16.4 p -126.92 110.05 12.6 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.091 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.654 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -105.51 105.12 15.02 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.86 -0.21 22.89 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.227 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.055 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.648 0.261 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.65 79.28 1.45 Allowed Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.171 -0.537 . . . . 0.0 111.865 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -102.44 137.68 40.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.652 0.263 . . . . 0.0 110.504 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.2 mpp? -111.15 159.52 32.45 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.387 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.79 164.03 8.37 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.653 2.235 . . . . 0.0 111.916 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -84.12 -168.47 2.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.509 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.06 -40.52 97.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.97 0.414 . . . . 0.0 110.661 -177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -141.9 -25.74 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.958 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.51 139.94 51.72 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.604 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.2 mmpt? 66.35 78.14 0.26 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.793 0.683 . . . . 0.0 110.776 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.48 166.22 29.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.875 2.383 . . . . 0.0 111.646 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.6 m -93.56 110.91 22.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -101.92 131.2 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.667 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mm -94.07 113.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.435 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.75 151.77 37.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.071 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.59 155.22 76.3 Favored 'Cis proline' 0 C--N 1.351 0.666 0 C-N-CA 124.374 -1.094 . . . . 0.0 112.297 -1.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -160.8 158.96 29.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.568 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.72 103.84 1.5 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.887 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -96.74 141.92 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.36 130.78 42.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 111.418 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -124.26 109.49 13.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.664 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.788 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 12.6 tpp85 -88.24 113.91 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG22 HG21 ' A' ' 79' ' ' ILE . 35.8 t -107.35 129.52 61.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.456 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.9 mt -121.44 112.52 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.439 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 65.7 mtm -119.56 171.82 8.09 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.381 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -95.74 19.24 11.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.019 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.454 HG23 ' HD3' ' A' ' 84' ' ' LYS . 15.0 t -148.06 161.9 40.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -91.15 -10.74 40.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.753 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.63 86.3 3.95 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.828 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.511 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.1 t -94.98 99.72 11.69 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 32.5 t -124.77 -62.65 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.106 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.424 ' HB ' HD21 ' A' ' 82' ' ' LEU . 5.5 m -49.06 -36.49 18.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.771 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.531 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -58.59 -49.43 77.48 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.347 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' HE2' ' O ' ' A' ' 30' ' ' THR . 51.6 mtmt -63.17 -45.74 90.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 31' ' ' SER . 24.4 mm-40 -52.44 -51.18 60.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.269 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 78' ' ' LYS . 3.6 pp -66.08 -31.05 71.69 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.644 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.0 mt -70.56 -40.3 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.462 . . . . 0.0 110.438 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 37.0 mt-10 -72.18 -19.69 61.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.834 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.0 p -64.1 -26.42 68.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HH ' ' HG2' ' A' ' 74' ' ' GLU . 97.0 m-85 -75.91 -8.06 56.03 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.382 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 64.41 19.4 11.78 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.513 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.556 ' HD2' ' SD ' ' A' ' 64' ' ' MET . 4.7 ptp180 -113.14 153.88 45.28 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.415 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.75 156.67 44.13 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.527 2.151 . . . . 0.0 111.543 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.88 154.9 41.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.699 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -98.62 107.13 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.683 178.103 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 tp -102.26 119.61 39.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.81 142.14 38.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.849 0.357 . . . . 0.0 111.297 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.99 121.05 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 170.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 11.3 mmpt? -85.63 -63.34 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.749 -177.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -171.92 159.31 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.367 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -87.04 147.28 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t -58.28 -179.61 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.123 0.487 . . . . 0.0 111.241 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -62.32 -19.22 63.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 109.315 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.41 138.1 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.069 169.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.73 -6.95 1.96 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.566 0.346 . . . . 0.0 111.817 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -54.52 -32.81 58.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 61.4 m-85 -122.32 142.08 50.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.014 0.435 . . . . 0.0 111.282 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.44 136.0 54.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.302 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m -106.6 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.014 0.435 . . . . 0.0 111.294 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -105.48 165.67 10.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.716 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.27 129.66 31.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.011 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 89.0 t -119.0 118.82 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.81 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.494 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 17.8 m -118.31 106.96 13.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.556 ' SD ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 ptp -127.16 158.65 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 110.684 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -79.39 108.77 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.875 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 m -88.73 130.07 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.12 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 t -60.96 -47.49 86.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.212 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -155.94 -178.51 7.35 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.442 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.61 -31.48 70.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.615 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.3 t -71.21 -46.62 60.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.786 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' O ' HG13 ' A' ' 75' ' ' ILE . 38.1 tt0 -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.901 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.56 -46.16 73.61 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.342 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -63.43 -39.18 93.79 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HG2' ' HH ' ' A' ' 40' ' ' TYR . 27.6 tt0 -63.78 -50.76 67.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.904 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.479 HD12 ' SD ' ' A' ' 64' ' ' MET . 73.9 mt -56.31 -41.42 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.22 -43.71 71.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.506 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.411 HE21 ' HA ' ' A' ' 74' ' ' GLU . 43.9 mt-30 -68.95 -41.64 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.648 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HB3' HD11 ' A' ' 36' ' ' LEU . 34.6 mmtp -58.48 -43.69 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.6 mt -62.82 -29.72 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.606 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.416 ' HA ' HG12 ' A' ' 85' ' ' VAL . 43.4 p -85.29 9.8 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.097 -0.377 . . . . 0.0 111.76 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -99.22 11.96 37.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.3 mt -77.08 -24.6 51.85 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 71.92 -42.32 0.53 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.84 0.856 . . . . 0.0 111.085 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HD3' HG23 ' A' ' 27' ' ' THR . 16.2 ptpt -71.27 -5.88 35.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 80' ' ' SER . 8.2 p -91.66 139.55 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.408 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.21 -23.78 4.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.401 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -151.34 136.74 17.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -129.35 129.47 44.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.788 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.9 mm? -114.13 104.71 12.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 -3.71 47.56 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.773 179.132 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.7 0.286 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.22 150.78 7.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.998 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -125.67 146.01 49.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.6 mtm -87.14 131.61 44.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -48.91 100.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.869 2.379 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -122.7 95.94 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -79.09 112.18 16.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 t -156.59 131.53 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.404 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.593 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -59.82 102.75 0.17 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.718 -177.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.4 mmtp -61.95 137.16 95.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.77 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.5 121.83 9.34 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.515 2.144 . . . . 0.0 111.923 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.5 m -75.91 110.8 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.56 137.75 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.242 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -89.74 103.35 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.669 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -94.22 145.62 30.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.536 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.0 Cg_exo -79.79 154.78 88.02 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.469 -1.055 . . . . 0.0 112.488 -0.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.8 t -163.07 161.31 25.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.25 122.39 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.618 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.0 t-105 -117.46 145.54 44.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -91.38 131.59 36.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.115 0.483 . . . . 0.0 111.239 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.459 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 91.2 m-85 -121.77 114.81 21.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.615 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.823 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.3 tpp85 -85.86 112.38 21.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.7 t -113.23 110.92 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.418 -177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -101.94 112.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.546 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 70.6 mtm -121.53 162.88 19.78 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.388 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -93.89 13.46 22.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.888 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.499 HG23 ' HD3' ' A' ' 84' ' ' LYS . 13.1 t -130.34 161.9 30.26 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -95.51 -15.32 22.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.725 172.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.82 80.96 7.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.276 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -79.25 100.11 7.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.576 0.703 . . . . 0.0 109.188 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 9.3 p -122.93 -73.6 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.452 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -49.26 -36.02 19.27 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.8 tp -57.36 -46.9 82.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.827 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 37' ' ' LEU . 54.6 mtmt -75.8 -33.83 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.815 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 31' ' ' SER . 42.4 mt-10 -58.6 -43.4 89.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -68.01 -31.36 70.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.308 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 34' ' ' LYS . 67.3 mt -65.66 -40.97 93.01 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.245 0.545 . . . . 0.0 109.679 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 45.9 mt-10 -65.43 -31.19 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.547 -177.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -64.66 -21.44 66.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 111.271 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 93.6 m-85 -83.38 -9.78 58.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.569 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 62.18 24.36 14.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.266 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.423 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.6 ptp180 -119.7 147.12 43.16 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.181 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.41 162.98 38.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.602 2.201 . . . . 0.0 112.576 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -155.29 172.49 18.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.99 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.591 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 5.1 ttpm? -127.33 112.32 14.9 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.52 124.79 34.35 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -125.65 143.8 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 111.684 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -110.72 107.91 17.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.7 -60.85 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.466 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -167.37 163.77 15.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.682 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 13.7 t -98.65 136.21 39.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' ASN . 30.9 t -72.79 83.99 1.2 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.395 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 47.26 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 112.885 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 52' ' ' SER . 65.9 m-20 -77.23 6.25 7.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 63.73 19.87 11.94 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -76.78 -35.84 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.246 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -121.69 148.67 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.855 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.42 125.71 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.9 p -94.42 112.41 24.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.874 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.54 158.7 16.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -138.4 132.01 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.63 118.54 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.097 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.591 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 78.6 p -105.58 106.87 17.56 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.491 ' SD ' HD11 ' A' ' 75' ' ' ILE . 26.5 ptm -129.11 160.17 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.248 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.4 136.76 47.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 15.8 m -124.0 126.79 73.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 170.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 21.0 t -84.07 -23.39 30.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.174 0.511 . . . . 0.0 109.891 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.63 178.33 10.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.896 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 23.2 tt0 -85.95 -17.8 34.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.535 -175.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -63.4 -40.75 98.06 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -67.17 -37.23 83.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.913 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 76.3 ttt180 -54.58 -34.21 61.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.403 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 87.7 m-20 -85.19 -42.47 14.68 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.699 177.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.0 tt0 -58.34 -50.12 74.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.056 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.493 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.5 mt -58.94 -40.06 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.69 -42.06 78.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 52.0 mt-30 -68.66 -36.96 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.372 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 74.8 mmtt -59.01 -41.9 88.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.158 0.504 . . . . 0.0 109.815 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.5 mt -60.88 -28.99 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.929 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -75.78 -19.39 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -84.04 0.58 47.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -75.42 -22.22 57.56 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.46 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t70 72.55 -31.18 0.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.277 0.631 . . . . 0.0 111.712 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.565 ' HB3' ' HZ3' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -88.86 4.2 48.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.416 0.686 . . . . 0.0 111.336 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 11.3 p -92.23 137.65 21.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.444 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -112.31 -15.33 10.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.8 tp-100 -156.09 131.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.475 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.438 HG22 HG23 ' A' ' 79' ' ' ILE . 47.6 p -121.89 122.68 39.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.829 -177.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.823 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp -120.31 109.76 15.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.22 -1.59 18.55 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.052 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.243 0.757 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.881 178.426 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.36 62.72 4.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.293 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -141.86 128.13 19.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.42 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 65.7 mtt -60.44 126.64 85.07 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 50.1 Cg_exo -56.33 -16.07 16.72 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.098 2.532 . . . . 0.0 113.359 -174.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m 64.89 35.57 8.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.067 0.46 . . . . 0.0 111.289 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.78 95.31 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.5 p -140.66 95.62 2.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.106 0.479 . . . . 0.0 111.113 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.534 ' HB3' ' HZ1' ' A' ' 9' ' ' LYS . 1.4 mmmp? -114.35 -167.8 1.27 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 8.5 mmpt? 73.62 137.25 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.227 0.611 . . . . 0.0 110.934 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.14 121.52 9.4 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.534 2.156 . . . . 0.0 112.062 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -74.34 128.11 34.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.511 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -100.84 133.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.855 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mm -84.34 93.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 110.552 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -76.88 138.57 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.584 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.601 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 2.9 Cg_endo -81.78 145.56 64.0 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 124.261 -1.141 . . . . 0.0 112.614 0.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 43.3 t -154.11 169.07 24.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -79.65 141.36 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.946 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -129.76 139.18 51.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.69 129.27 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.228 0.33 . . . . 0.0 110.398 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.451 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 76.0 m-85 -117.04 114.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.839 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.586 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.4 tpp180 -79.42 109.1 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG11 ' HG3' ' A' ' 25' ' ' MET . 49.0 t -111.66 111.7 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.728 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.38 109.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.296 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.449 ' HG3' HG11 ' A' ' 23' ' ' VAL . 84.2 mtp -120.23 159.03 25.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -97.19 16.58 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.676 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 t -136.87 132.57 34.74 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.786 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 9.9 mtmp? -72.36 -19.99 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.664 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -99.75 83.67 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.243 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -90.04 125.96 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.26 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 -53.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 m -52.25 -33.86 43.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.54 178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.514 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 66.5 tp -59.28 -45.0 92.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.344 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -74.92 -31.51 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -61.76 -47.0 87.19 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.103 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 78' ' ' LYS . 4.5 pp -66.02 -30.67 71.26 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.89 0.376 . . . . 0.0 110.396 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD21 ' SD ' ' A' ' 64' ' ' MET . 75.5 mt -70.49 -37.31 74.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.243 0.544 . . . . 0.0 109.749 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.33 -30.83 71.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.472 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.1 p -69.03 -17.72 63.94 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -77.86 -14.58 59.52 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 59.23 24.82 13.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.335 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.605 HH11 ' HB2' ' A' ' 65' ' ' GLU . 11.0 ptp180 -113.82 152.4 45.56 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.68 148.46 77.8 Favored 'Trans proline' 0 C--O 1.237 0.471 0 C-N-CA 122.298 1.999 . . . . 0.0 112.163 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -155.31 151.08 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 34.2 ttpt -104.19 120.83 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.863 178.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -102.21 109.95 21.77 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HG3' ' HB3' ' A' ' 61' ' ' ASN . 13.2 pt-20 -123.61 128.69 50.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.414 . . . . 0.0 111.005 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -83.45 110.75 18.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.485 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 8.9 mmpt? -64.38 -67.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.145 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -178.89 164.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.802 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -99.37 146.34 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -50.98 153.89 1.68 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -63.85 -30.4 71.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.039 0.447 . . . . 0.0 110.369 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -84.68 0.43 50.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.76 22.99 12.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.812 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -82.01 -43.91 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CD1' HG23 ' A' ' 86' ' ' VAL . 36.2 m-85 -118.44 139.9 50.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.653 -177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -107.92 117.68 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -93.37 112.44 24.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.351 -174.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.57 166.19 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.171 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t30 -141.33 126.31 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.383 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.451 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 84.2 t -101.59 119.93 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.7 m -112.96 106.19 14.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.626 ' SD ' HD12 ' A' ' 75' ' ' ILE . 24.7 ptm -134.58 161.19 35.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.588 0.232 . . . . 0.0 110.898 -175.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.605 ' HB2' HH11 ' A' ' 42' ' ' ARG . 36.6 mt-10 -74.97 138.55 42.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.057 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.3 126.95 68.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.601 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 27.8 t -88.51 -30.87 19.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.335 0.588 . . . . 0.0 109.602 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.479 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.0 p30 -139.45 178.36 7.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.556 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.84 -24.71 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.459 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.479 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 24.4 t -59.64 -37.76 79.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.76 -46.37 82.42 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.833 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -54.0 -37.26 63.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -74.2 -47.75 33.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.02 -49.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.364 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.626 HD12 ' SD ' ' A' ' 64' ' ' MET . 70.3 mt -56.15 -43.41 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -55.33 -40.41 71.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.412 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -71.07 -42.25 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.492 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.518 ' HB3' HD23 ' A' ' 36' ' ' LEU . 71.2 mmtt -55.37 -43.89 75.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.584 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.521 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.4 mt -59.33 -29.27 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' HG13 ' A' ' 85' ' ' VAL . 42.1 t -73.95 -29.81 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.966 0.412 . . . . 0.0 110.699 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.14 3.7 2.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.329 -172.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 12.1 mt -83.28 -26.29 30.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.513 -0.117 . . . . 0.0 110.746 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.7 t70 71.92 -35.18 0.32 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.771 0.67 . . . . 0.0 111.391 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 82' ' ' LEU . 20.2 mttp -69.7 -10.17 57.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.432 0.693 . . . . 0.0 111.604 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.423 HG13 ' HA ' ' A' ' 80' ' ' SER . 8.4 p -89.73 132.31 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.457 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.41 HG23 ' CD1' ' A' ' 57' ' ' PHE . 32.6 m -99.99 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -161.22 142.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.863 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 t -141.82 140.37 32.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? -121.15 105.94 11.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.819 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.79 41.11 2.22 Favored Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.592 -177.197 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.9 -33.44 46.07 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -127.18 151.1 49.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.495 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 22.0 ptp -130.32 162.56 53.6 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 27.2 Cg_endo -61.31 -179.64 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.075 1.85 . . . . 0.0 111.874 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 p -63.9 84.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.32 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.09 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.476 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -108.22 24.43 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.29 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -67.47 139.26 57.04 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.264 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 10.3 mptt 58.15 77.08 0.42 Allowed Pre-proline 0 N--CA 1.47 0.528 0 O-C-N 123.402 0.439 . . . . 0.0 110.94 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.76 136.65 39.51 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.64 2.227 . . . . 0.0 112.121 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.7 m -68.94 110.79 4.59 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -86.85 129.08 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.483 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -90.55 127.13 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.16 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -111.28 150.2 41.69 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.441 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.525 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 72.2 Cg_endo -81.06 158.15 83.83 Favored 'Cis proline' 0 C--N 1.353 0.789 0 C-N-CA 123.661 -1.391 . . . . 0.0 112.81 -3.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -164.69 170.68 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.212 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -79.46 108.79 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -95.14 147.31 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.83 119.63 35.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -172.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -108.06 130.87 55.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.821 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.6 tpp180 -94.66 109.67 21.58 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -107.18 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.649 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -95.13 115.42 33.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.1 mtp -120.19 156.28 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.349 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 p -93.36 27.05 2.69 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.313 0.578 . . . . 0.0 110.745 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -155.75 157.83 37.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.206 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 56.0 mtmt -102.62 7.56 39.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 109.878 174.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -84.05 87.97 7.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.309 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -105.63 101.3 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.802 0.81 . . . . 0.0 110.85 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 47.5 t -138.34 -54.35 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.707 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -48.29 -36.58 14.44 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.938 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD12 HD11 ' A' ' 82' ' ' LEU . 53.7 tp -61.44 -45.48 94.12 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.952 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 53.6 mtmt -72.17 -38.33 69.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -177.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 31' ' ' SER . 25.5 mm-40 -52.53 -50.84 62.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.145 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.81 -31.43 72.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.721 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD21 ' SD ' ' A' ' 64' ' ' MET . 82.4 mt -68.15 -39.35 82.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.143 0.497 . . . . 0.0 110.302 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.6 mt-10 -72.23 -20.13 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.821 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 p -61.3 -27.02 68.18 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.092 0.472 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.545 ' HH ' ' HG2' ' A' ' 74' ' ' GLU . 78.4 m-85 -78.97 -9.43 59.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.948 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 61.35 17.37 8.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.938 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 9.8 ptp180 -107.37 150.53 40.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.905 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.11 159.47 53.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.608 2.206 . . . . 0.0 112.356 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.31 151.34 24.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.258 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -111.44 112.92 25.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -105.02 124.99 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.135 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -141.9 143.34 33.25 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.264 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -88.38 109.97 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 30.7 mmtp -72.7 -66.18 0.7 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.716 -175.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -166.33 142.15 4.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.688 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -95.63 132.64 40.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -57.63 157.29 7.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -57.36 -30.34 64.77 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -68.26 -19.24 64.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.977 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.35 13.88 9.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.247 0.619 . . . . 0.0 111.341 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -93.24 -28.75 16.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.344 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.99 107.32 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -98.37 118.87 36.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.675 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -95.12 115.97 28.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.976 0.417 . . . . 0.0 111.526 -176.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.404 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 97.8 m-85 -103.99 164.41 11.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.44 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.555 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 t30 -132.49 125.75 31.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.134 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.66 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -118.27 107.53 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.534 ' SD ' HD21 ' A' ' 37' ' ' LEU . 18.7 ptm -135.76 151.04 49.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 -172.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.588 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.5 mt-10 -73.95 116.27 14.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.464 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.1 m -97.85 126.75 50.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.525 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 16.9 m -64.63 -40.13 94.92 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 35.0 p-10 -163.35 -175.26 4.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.675 -176.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.39 -44.29 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.73 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -53.1 -51.62 61.3 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.213 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' HG2' ' OD1' ' A' ' 68' ' ' ASN . 18.2 mm-40 -59.03 -44.32 91.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.516 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -30.54 69.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.403 -174.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -88.67 -43.03 11.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.545 ' HG2' ' HH ' ' A' ' 40' ' ' TYR . 32.4 tt0 -57.44 -52.72 64.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.188 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.484 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.7 mt -55.97 -40.79 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.661 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.09 -49.68 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.12 -35.66 75.74 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.925 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -70.25 -37.96 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.813 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 70.2 mt -64.72 -29.98 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.508 ' HA ' HG12 ' A' ' 85' ' ' VAL . 19.8 p -85.15 8.66 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -92.63 -2.37 56.15 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -66.19 -24.84 66.7 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.286 -174.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.0 t70 73.71 -37.18 0.36 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.64 0.588 . . . . 0.0 110.705 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 72.0 mttt -70.78 -21.22 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.971 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 80' ' ' SER . 7.8 p -78.11 135.53 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.356 -178.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.1 p -106.63 -25.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 -176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -158.81 123.56 4.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.792 0.33 . . . . 0.0 110.961 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 p -110.36 127.83 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.821 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -116.47 126.48 53.45 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.52 -45.98 2.85 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.254 1.304 0 CA-C-O 118.755 -0.641 . . . . 0.0 110.222 179.319 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 4.3 Cg_exo -78.27 156.86 93.9 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 124.272 -1.137 . . . . 0.0 112.318 -0.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.7 t -166.3 159.22 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.253 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.03 124.28 23.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.015 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -111.64 143.75 42.01 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -106.68 127.08 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.9 135.66 54.46 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.833 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.9 tpp180 -102.84 118.59 37.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.427 HG12 ' HG3' ' A' ' 25' ' ' MET . 29.8 t -119.46 108.94 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 -175.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.94 110.04 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' HG12 ' A' ' 23' ' ' VAL . 68.0 mtm -119.83 157.68 28.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.781 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -93.56 19.66 8.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.689 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 84' ' ' LYS . 14.6 t -135.41 146.98 48.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.222 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -90.91 -11.67 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 171.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -85.98 79.01 9.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.456 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.425 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -89.0 100.82 13.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.555 0.693 . . . . 0.0 110.496 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -110.89 -67.99 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.713 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 m -46.6 -38.57 9.75 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.111 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 82' ' ' LEU . 61.1 tp -59.89 -48.36 82.01 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.838 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 51.0 mtmt -74.88 -35.49 62.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 110.254 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -55.35 -50.97 68.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -60.68 -31.12 70.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.105 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 ' SD ' ' A' ' 64' ' ' MET . 60.5 mt -74.83 -44.78 47.38 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.181 0.515 . . . . 0.0 110.497 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 53.5 mt-10 -63.62 -26.16 68.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.114 -174.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.3 p -61.63 -26.02 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -75.77 -8.74 57.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.806 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.99 12.68 6.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.448 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -105.05 156.32 36.28 Favored Pre-proline 0 C--O 1.236 0.375 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.41 162.89 40.9 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.3 2.0 . . . . 0.0 111.849 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.09 153.44 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.99 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -99.35 123.45 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.764 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.7 119.24 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 62.9 mm-40 -128.25 155.23 44.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 0.0 111.295 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -118.64 116.97 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -85.53 -60.53 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.552 0.215 . . . . 0.0 111.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -167.57 167.72 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.27 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -131.42 147.94 52.61 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -56.75 165.12 1.27 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -65.45 -17.91 64.91 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -173.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -101.0 5.09 42.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.307 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.05 26.37 13.49 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.292 0.568 . . . . 0.0 110.586 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -87.43 -40.33 14.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.532 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CD1' HG21 ' A' ' 86' ' ' VAL . 61.2 m-85 -113.76 122.52 47.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.877 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -105.1 118.46 36.6 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -87.07 111.98 21.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.309 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.76 148.55 26.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.274 0.559 . . . . 0.0 110.332 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -116.86 122.05 43.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.64 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -118.42 136.26 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.85 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -139.6 121.07 15.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.6 ptm -141.91 155.67 45.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.663 0.268 . . . . 0.0 110.769 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.07 120.07 20.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.12 128.24 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 29.7 t -87.51 -18.73 29.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.689 0.28 . . . . 0.0 110.865 -176.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.51 178.7 9.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 0.0 110.725 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.64 -28.91 51.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.781 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.4 t -63.04 -47.09 84.5 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 52.9 mt-10 -56.94 -46.48 82.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.987 0.422 . . . . 0.0 110.183 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.24 -34.82 61.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 41.2 m-80 -83.81 -48.41 10.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.439 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 11.6 pt-20 -60.25 -43.62 95.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 -174.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.566 HD13 ' SD ' ' A' ' 64' ' ' MET . 71.6 mt -60.01 -43.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.57 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.1 mt-30 -72.33 -35.04 68.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.026 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 79.2 mttt -67.59 -33.69 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.257 0.551 . . . . 0.0 109.69 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 72.3 mt -62.14 -29.79 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.139 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -87.1 -4.81 59.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.028 -0.42 . . . . 0.0 111.332 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 88.7 mt-30 -93.44 3.46 55.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.12 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 18.9 mt -71.14 -34.58 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.649 0.262 . . . . 0.0 110.485 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 27.2 t70 77.33 -36.64 0.24 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.786 0.834 . . . . 0.0 111.066 -175.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HG2' HG21 ' A' ' 27' ' ' THR . 3.0 mptp? -62.07 -25.86 67.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.615 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 p -76.69 131.6 34.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 57' ' ' PHE . 34.3 m -102.7 -19.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -156.57 118.67 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.584 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.407 HG22 HG22 ' A' ' 79' ' ' ILE . 60.0 p -98.31 133.23 43.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.8 mm? . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -85.34 145.34 39.74 Favored 'Cis proline' 0 C--N 1.349 0.598 0 C-N-CA 124.136 -1.193 . . . . 0.0 112.354 -1.481 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -150.12 163.64 37.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.895 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.88 103.3 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 37.7 t-105 -88.53 143.8 26.74 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -107.64 132.94 52.77 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.203 0.525 . . . . 0.0 111.564 -174.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.452 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 82.7 m-85 -122.14 131.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.424 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.837 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.5 tpt180 -93.06 110.31 21.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.8 t -111.29 118.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.7 mt -110.27 109.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.472 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 39.7 mtm -117.07 149.36 40.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.301 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -86.72 42.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.594 HG21 ' HE3' ' A' ' 84' ' ' LYS . 10.1 t -162.51 158.24 23.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.311 -176.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -104.32 -2.48 25.48 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 171.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.94 79.94 7.52 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.578 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -86.88 101.63 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 17.9 m -130.58 -62.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.386 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.1 m -59.96 -34.94 73.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.5 tp -54.72 -48.36 72.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.698 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HE2' ' O ' ' A' ' 30' ' ' THR . 50.6 mtmt -70.05 -36.33 74.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.81 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 31' ' ' SER . 23.5 mm-40 -54.51 -49.46 70.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.108 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.5 pp -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.071 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD22 ' SD ' ' A' ' 64' ' ' MET . 87.7 mt -70.89 -34.03 71.16 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.012 0.434 . . . . 0.0 110.293 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.34 -26.41 60.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.936 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.5 p -61.93 -15.95 47.13 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.753 0.311 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 97.3 m-85 -92.39 -14.15 29.06 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.263 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.01 33.22 22.96 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.604 0.361 . . . . 0.0 111.583 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.522 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.7 ptp180 -124.03 150.56 63.34 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.85 147.83 75.6 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.301 2.001 . . . . 0.0 112.319 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -144.43 146.35 32.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.816 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -101.44 104.19 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.9 122.86 42.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.92 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -145.0 156.16 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.29 0.369 . . . . 0.0 110.721 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -94.55 116.54 28.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.966 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 61' ' ' ASN . 72.9 mmtt -69.3 -81.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -157.65 176.58 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.257 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 13.2 t -132.69 146.06 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 33.1 m -64.96 175.67 1.46 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.7 -50.25 73.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -85.94 8.1 21.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.624 0.249 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.85 19.95 8.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.234 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 72.2 m-85 -113.01 125.36 54.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.039 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -113.37 121.12 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.625 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -92.27 121.2 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -108.99 162.42 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.49 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 2.3 t30 -114.76 122.46 46.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.563 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.08 118.21 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 174.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 16.5 m -129.72 108.16 9.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.549 ' SD ' HD13 ' A' ' 75' ' ' ILE . 22.5 ptm -136.74 150.65 48.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.626 0.25 . . . . 0.0 110.8 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 126.32 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.12 131.07 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 13.5 m -75.31 -30.19 60.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.32 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -170.95 -178.46 2.5 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.924 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 73' ' ' ASN . 37.6 tt0 -61.61 -30.66 70.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.057 -174.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 m -57.21 -38.99 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.805 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.43 -31.18 57.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.292 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 2.5 tmt_? -56.92 -42.51 80.13 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 43.6 m-80 -70.68 -45.92 64.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 39.8 tt0 -61.25 -55.85 27.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' SD ' ' A' ' 64' ' ' MET . 76.3 mt -58.1 -41.35 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.501 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -53.62 -45.09 69.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.409 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.25 -39.19 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.6 mmtp -59.42 -43.21 93.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 78.2 mt -62.01 -29.71 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.68 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -79.21 -11.92 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.347 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -80.84 -5.71 57.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.413 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -72.37 -37.49 68.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.115 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 72.95 -33.2 0.26 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.832 0.853 . . . . 0.0 111.365 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.594 ' HE3' HG21 ' A' ' 27' ' ' THR . 15.8 mtpp -59.87 -21.55 61.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.359 0.6 . . . . 0.0 109.681 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -84.01 129.39 37.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.739 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.17 -15.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.246 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' HD11 ' A' ' 89' ' ' LEU . 6.6 tp-100 -151.86 128.04 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 p -119.21 115.79 24.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.594 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.06 150.35 73.34 Favored 'Cis proline' 0 C--N 1.353 0.813 0 C-N-CA 124.635 -0.986 . . . . 0.0 112.485 0.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 p -155.94 160.79 40.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.09 103.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -94.53 147.43 23.27 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.79 119.36 38.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 96.9 m-85 -105.0 147.49 27.75 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.89 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.1 tpp85 -125.86 113.96 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -115.64 110.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 70.9 mt -100.88 108.04 22.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 65.1 mtm -111.07 176.78 4.89 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -106.47 12.7 29.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.88 0.371 . . . . 0.0 111.434 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -141.8 158.86 43.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.427 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.5 -6.37 58.92 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.13 82.54 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.294 0.569 . . . . 0.0 109.903 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -95.04 100.08 11.97 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.567 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 22.9 t -146.47 -53.59 0.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.366 -175.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.8 m -59.9 -31.15 69.54 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.764 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.7 -44.61 93.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.253 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 50.9 mtmt -70.58 -33.81 71.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.411 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -50.88 -48.62 60.24 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -69.84 -30.43 67.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.9 mt -72.56 -39.03 67.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-10 -67.75 -22.48 65.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.723 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -61.45 -30.12 70.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 110.527 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -79.96 -22.2 42.89 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.24 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 58.27 21.44 8.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.233 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 6.1 ptp180 -97.74 155.52 37.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.27 138.71 62.29 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.395 2.063 . . . . 0.0 112.259 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -148.91 151.94 35.53 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' ' OG ' ' A' ' 63' ' ' SER . 37.6 ttpt -105.26 117.68 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.353 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.86 112.41 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -129.83 156.25 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -173.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 91.3 t80 -124.77 114.49 19.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.223 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.2 mmpt? -83.96 -64.9 1.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -158.91 158.3 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.568 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.428 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 6.8 t -121.96 145.56 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.4 t -55.86 159.07 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.505 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 2.5 mmmp? -56.89 -32.31 65.75 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.009 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -85.27 -8.03 58.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.816 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.58 18.58 8.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.132 -176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -87.26 -33.71 19.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -113.39 135.92 53.34 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -121.9 125.47 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.954 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -91.32 112.45 24.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.114 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 86.2 m-85 -104.48 156.42 17.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.874 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -131.44 129.21 40.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.1 -175.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.563 ' N ' HD22 ' A' ' 61' ' ' ASN . 96.5 t -129.95 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.195 177.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.493 ' OG ' ' HE2' ' A' ' 45' ' ' LYS . 20.5 p -111.95 122.12 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.422 ' SD ' HD22 ' A' ' 37' ' ' LEU . 22.1 ptm -143.93 146.52 33.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.394 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.7 mt-10 -73.0 107.88 5.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.495 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -90.02 127.87 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.347 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.3 t -61.35 -35.64 78.0 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -161.22 -173.77 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 44.7 tt0 -72.35 -38.38 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.077 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -59.62 -32.82 70.78 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.245 -0.284 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.31 -56.36 19.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 9.3 ptm180 -63.35 -14.42 49.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.846 -173.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.12 -41.32 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.714 0.292 . . . . 0.0 110.569 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 10.3 pt-20 -69.11 -45.74 69.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.929 0.395 . . . . 0.0 110.165 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 mt -60.67 -40.04 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.87 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -54.66 -39.42 68.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.761 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -73.1 -39.7 65.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.574 ' HB2' HD13 ' A' ' 36' ' ' LEU . 78.5 mttt -63.78 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.086 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 81.4 mt -63.65 -29.83 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.361 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG11 ' A' ' 85' ' ' VAL . 51.5 p -85.9 8.7 19.24 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.876 -0.515 . . . . 0.0 111.595 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -90.69 1.48 56.79 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.323 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.4 mt -76.92 -23.43 52.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.5 0.191 . . . . 0.0 110.534 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 t70 73.42 -40.09 0.46 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.942 0.776 . . . . 0.0 111.184 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -75.09 -6.87 51.81 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.136 0.575 . . . . 0.0 111.603 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.5 p -89.37 132.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.02 -28.05 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.46 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 53.9 tp60 -142.16 118.77 11.01 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.027 0.442 . . . . 0.0 110.902 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 79' ' ' ILE . 32.1 p -104.96 126.8 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.474 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.87 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' SER . 73.2 m-85 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.95 160.22 95.09 Favored 'Cis proline' 0 C--N 1.351 0.696 0 C-N-CA 124.345 -1.106 . . . . 0.0 111.991 -0.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.8 t -163.59 160.8 23.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.458 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -75.52 110.68 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -93.57 141.48 28.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.37 132.75 50.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.536 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -124.32 142.94 50.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.546 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 2.4 tpp180 -110.68 111.24 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 25' ' ' MET . 41.4 t -104.89 106.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.434 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.2 mt -96.9 108.08 20.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.001 0.429 . . . . 0.0 110.237 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' HG12 ' A' ' 23' ' ' VAL . 77.9 mtp -116.57 145.4 43.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.882 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 16.9 p -82.44 -5.97 59.01 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -112.99 155.63 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -97.67 1.29 48.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.49 84.02 4.66 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 t -89.53 99.59 12.56 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.695 0.76 . . . . 0.0 109.338 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 p -137.65 -63.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.457 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -31.61 37.54 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.501 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.08 -40.32 97.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -69.24 -42.07 76.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.898 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.05 -51.54 52.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.369 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 HD21 ' A' ' 82' ' ' LEU . 3.3 pp -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.635 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.76 -40.83 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.316 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.39 -19.2 63.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.084 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -62.78 -25.53 68.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 43.9 m-85 -81.69 -4.28 55.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.662 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.45 29.86 18.88 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.259 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 10.3 ptp180 -127.71 155.88 76.5 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.561 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.41 156.39 64.38 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.473 2.115 . . . . 0.0 112.037 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.51 153.5 34.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 37.7 ttpt -107.23 106.92 17.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -108.9 106.59 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 63.1 mm-40 -119.52 154.99 32.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.147 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -96.79 117.56 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 70.2 mmtt -76.85 -80.11 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.15 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -146.92 178.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.2 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.426 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 10.2 t -141.45 145.61 35.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.901 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -70.28 173.21 7.03 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -52.56 -53.41 46.76 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.218 0.607 . . . . 0.0 111.906 -175.547 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -91.74 13.88 16.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.114 0.483 . . . . 0.0 110.006 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.06 7.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.16 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 26' ' ' THR . 24.6 ttmm -65.33 -34.9 79.41 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -118.63 111.27 18.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.739 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -93.0 119.04 31.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.0 m -92.42 112.48 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.381 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -104.78 154.97 19.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.41 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.6 t30 -121.28 122.59 40.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.42 119.06 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 7.8 m -121.22 112.76 19.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.525 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.0 ptm -136.18 161.67 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 111.03 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -75.9 122.45 24.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.747 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 m -108.0 134.72 48.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 37.1 t -72.6 -51.89 17.78 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.04 -161.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.242 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 31.3 tt0 -71.46 -20.52 62.08 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.674 0.273 . . . . 0.0 111.652 -174.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -62.9 -42.85 99.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.962 0.411 . . . . 0.0 110.66 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 20.2 mp0 -64.19 -48.59 75.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -60.02 -15.46 22.83 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -174.635 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -93.76 -45.4 7.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.854 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 8.2 pt-20 -64.6 -43.78 92.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.933 0.396 . . . . 0.0 110.421 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.525 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.5 mt -63.36 -36.23 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.287 -178.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.0 -36.73 73.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.035 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.32 -39.2 54.71 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.852 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.9 mmtp -55.21 -41.38 71.96 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.214 0.53 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.6 mt -61.33 -29.26 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.17 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -78.61 -20.36 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.53 -5.98 32.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.715 -175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.9 mt -80.85 -21.43 40.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.99 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.2 t70 71.93 -38.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.226 0.61 . . . . 0.0 111.309 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 82' ' ' LEU . 82.5 mttt -61.1 -28.79 69.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.635 0.774 . . . . 0.0 112.037 -178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.0 p -78.1 135.88 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.664 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.19 -30.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.795 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.552 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.8 tt0 -138.42 115.18 10.69 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -102.34 123.01 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.515 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.734 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.1 mp . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -77.88 167.7 77.93 Favored 'Cis proline' 0 C--N 1.352 0.724 0 C-N-CA 124.178 -1.176 . . . . 0.0 112.421 0.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 t -161.82 153.35 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.487 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.46 102.62 3.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.197 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -92.37 132.46 36.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.07 137.34 37.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.07 0.462 . . . . 0.0 110.972 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -125.7 115.61 20.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 7.4 tpp180 -79.15 109.7 13.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.94 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.65 111.44 29.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.13 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' HD12 ' A' ' 82' ' ' LEU . 52.7 mtm -121.86 160.64 24.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.341 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -94.45 29.05 2.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.724 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 84' ' ' LYS . 12.3 t -149.9 143.51 25.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.848 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -88.56 -11.7 44.87 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.18 79.42 6.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.907 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -90.15 107.5 19.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 31.4 p -124.76 -66.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.575 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -53.02 -33.33 51.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.074 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.3 tp -58.88 -43.21 90.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.473 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -75.48 -41.76 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.244 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 31' ' ' SER . 69.2 mm-40 -56.36 -47.53 78.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.054 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pp -62.73 -32.1 73.16 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.357 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD22 ' SD ' ' A' ' 64' ' ' MET . 85.4 mt -69.0 -40.78 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 109.993 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.43 -19.87 63.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.88 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 35' ' ' GLU . 36.1 p -64.26 -18.12 64.26 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.703 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -92.05 -7.3 49.16 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.007 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 65.32 -3.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.895 0.878 . . . . 0.0 112.715 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -88.44 152.3 49.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.67 160.07 51.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 112.774 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.59 160.3 42.39 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.074 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -117.44 111.43 19.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.333 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.43 118.32 26.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.817 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 18.3 mm-40 -120.42 124.01 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -102.6 108.12 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -86.26 -67.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.966 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -149.27 142.32 24.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 111.491 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -100.65 145.56 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 44.0 m -56.88 158.04 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.61 0.243 . . . . 0.0 111.182 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -54.97 -39.46 68.99 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.462 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -99.46 15.71 25.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.065 0.459 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.46 17.91 8.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.451 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.57 -49.62 62.3 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.711 0.291 . . . . 0.0 111.059 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.428 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 70.3 m-85 -112.78 151.84 29.86 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.078 0.466 . . . . 0.0 110.243 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.34 116.96 22.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -90.37 112.28 23.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.233 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.7 165.42 11.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.118 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 4.0 t30 -142.77 122.31 13.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.282 177.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.19 119.36 56.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -115.55 110.83 19.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.719 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.2 ptm -143.04 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.324 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.21 139.15 41.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.462 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.92 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.5 t -82.28 -31.29 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.665 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.06 177.06 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 112.101 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -60.77 -45.46 94.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.711 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -57.87 -41.21 82.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.73 -52.43 57.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.498 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 72' ' ' ARG . 13.0 ptt180 -56.33 -34.93 67.04 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 -173.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.65 -37.8 26.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 24.4 tt0 -62.25 -47.12 85.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.317 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.0 mt -59.45 -40.81 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.373 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.96 -44.5 82.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.062 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.5 mt-30 -65.59 -42.98 91.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.54 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -55.56 -45.32 77.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.461 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.616 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.3 mt -62.37 -28.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.572 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.6 t -76.89 -17.31 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 97.0 mt-30 -85.71 -0.56 55.51 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.9 mt -73.99 -17.17 61.03 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.942 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 13.4 t70 74.38 -27.48 0.19 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.117 0.567 . . . . 0.0 111.693 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 27' ' ' THR . 31.5 mttm -89.42 -3.25 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.034 0.534 . . . . 0.0 111.741 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 80' ' ' SER . 10.1 p -89.98 147.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.38 -23.06 2.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.468 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -160.26 137.93 9.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.737 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 11.5 p -141.4 115.76 9.46 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.0 mp . . . . . 0 C--N 1.331 -0.216 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.498 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -76.08 155.82 98.61 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 124.15 -1.187 . . . . 0.0 112.947 -0.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 45.6 t -170.36 176.91 4.29 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.32 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 69.9 mt -86.26 134.3 33.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 110.747 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.0 t-105 -125.71 129.83 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.696 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 119.02 29.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.927 0.394 . . . . 0.0 111.444 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.6 m-85 -99.06 144.7 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.662 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.769 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.1 tpp85 -109.26 113.52 26.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 25' ' ' MET . 21.7 t -112.44 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.741 -174.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.85 105.54 17.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.171 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 71.6 mtp -107.24 170.42 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.138 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -101.09 12.2 38.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.15 0.5 . . . . 0.0 110.61 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.498 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.1 t -150.91 163.89 37.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.779 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 50.3 mtmt -99.21 4.27 46.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.967 0.413 . . . . 0.0 110.143 173.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -79.28 79.8 5.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.4 t -98.2 100.57 11.88 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.628 0.728 . . . . 0.0 109.74 177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 22.7 t -126.39 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.561 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.517 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.6 m -50.59 -36.27 34.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.7 tp -58.19 -43.23 87.43 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.839 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.2 mtmt -75.41 -37.92 60.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 31' ' ' SER . 67.1 mt-10 -61.55 -44.48 96.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.026 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.0 pp -61.95 -30.53 70.98 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 34' ' ' LYS . 56.9 mt -69.61 -43.09 73.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.023 0.439 . . . . 0.0 109.828 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.08 -31.43 70.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.646 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 p -59.41 -28.02 66.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.348 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.578 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 94.1 m-85 -80.37 -4.16 52.46 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.813 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 59.78 21.85 10.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.783 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -121.34 151.42 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.61 150.19 88.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.547 2.164 . . . . 0.0 112.485 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -138.18 163.08 32.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.419 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 3.6 tmmm? -118.65 114.46 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -103.4 107.02 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.64 132.29 55.04 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -96.39 117.15 30.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -75.33 -70.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.806 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -174.59 165.24 3.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -94.92 145.38 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.18 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -64.19 162.16 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 4.7 ttmp? -65.93 -31.28 72.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 110.508 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -74.67 -11.62 60.23 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 10.31 6.4 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.281 0.633 . . . . 0.0 112.195 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -87.81 -27.4 22.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.559 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -118.89 119.47 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.94 125.87 50.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.785 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t -95.28 118.97 32.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.943 0.401 . . . . 0.0 111.313 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 96.2 m-85 -111.66 155.38 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.945 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.432 HD22 ' HE3' ' A' ' 45' ' ' LYS . 11.9 t30 -133.59 121.73 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 72.3 t -122.94 119.52 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.803 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.585 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 80.0 p -114.38 133.69 55.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.539 ' SD ' HG21 ' A' ' 75' ' ' ILE . 24.8 ptm -142.6 164.74 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 52.0 mt-10 -70.63 115.61 9.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 m -98.29 126.25 51.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . 18.0 m -75.92 -36.83 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.076 0.465 . . . . 0.0 110.524 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.58 178.56 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.958 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 43.9 tt0 -58.13 -44.57 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.191 -174.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -57.4 -35.74 70.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.539 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 33.4 mm-40 -64.49 -50.45 67.39 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.665 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.7 ptt180 -59.9 -31.07 69.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.103 -176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.1 m-20 -66.28 -57.29 7.84 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.666 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 32.4 tt0 -55.25 -50.56 69.17 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.163 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' SD ' ' A' ' 64' ' ' MET . 78.8 mt -56.81 -43.08 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.48 -41.61 85.65 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.335 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 46.2 mt-30 -67.86 -39.38 83.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.47 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.3 mmtp -58.37 -41.79 85.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.312 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.7 mt -59.8 -30.83 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.222 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.1 p -80.75 -10.12 59.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.144 -0.347 . . . . 0.0 111.783 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.11 7.85 5.64 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -82.67 -26.18 32.34 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 72.37 -39.45 0.45 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.612 0.765 . . . . 0.0 111.353 -175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HD3' HG21 ' A' ' 27' ' ' THR . 13.3 ptpt -75.09 8.07 2.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.713 0.405 . . . . 0.0 111.252 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -109.24 131.83 58.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.7 m -99.13 -35.43 4.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -140.18 133.11 29.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.942 0.401 . . . . 0.0 110.809 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.7 p -123.18 116.32 23.22 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.982 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.769 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mp . . . . . 0 C--O 1.235 0.311 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.3 Cg_exo -78.18 157.82 93.85 Favored 'Cis proline' 0 C--N 1.353 0.796 0 C-N-CA 124.26 -1.142 . . . . 0.0 112.664 1.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -165.75 158.67 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.148 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -74.29 142.32 45.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.99 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -130.07 137.94 50.47 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.99 129.88 45.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.28 0.363 . . . . 0.0 110.503 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 73.5 m-85 -117.33 119.49 35.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.865 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.672 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 16.1 tpt180 -83.47 109.73 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG22 HG21 ' A' ' 79' ' ' ILE . 39.1 t -116.09 111.56 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.353 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 60.4 mt -107.15 112.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.4 mtm -116.95 162.76 17.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.1 p -92.31 14.29 16.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.356 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -144.37 153.27 41.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 111.226 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 3.7 mmmp? -82.22 -9.84 59.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.094 173.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -76.2 79.31 3.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.285 0.564 . . . . 0.0 109.897 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 t -87.51 99.21 11.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.1 p -130.51 -66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.6 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -48.83 -36.53 17.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.738 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.9 tp -61.07 -48.89 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.892 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 mtmt -74.86 -31.05 61.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 mm-40 -55.58 -51.15 68.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.6 pp -62.21 -30.31 71.0 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.097 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD22 ' SD ' ' A' ' 64' ' ' MET . 55.8 mt -72.79 -44.61 61.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.223 0.535 . . . . 0.0 110.418 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -67.22 -23.11 65.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.818 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 35' ' ' GLU . 77.0 p -65.63 -16.91 64.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 111.218 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -85.16 -10.15 57.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.542 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 61.85 12.41 4.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.603 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 5.1 ptp180 -99.9 155.25 36.66 Favored Pre-proline 0 C--O 1.235 0.292 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.24 146.06 39.88 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.072 . . . . 0.0 111.748 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -142.59 151.77 41.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.366 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 63' ' ' SER . 35.9 ttpt -103.75 110.07 22.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.764 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -93.13 122.7 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 46.8 mt-10 -124.63 139.69 53.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.654 0.264 . . . . 0.0 111.607 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -98.65 108.14 20.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.4 mmpt? -78.64 -65.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.961 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -163.83 161.43 23.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.322 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -119.8 146.85 45.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.759 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.473 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 15.1 m -56.45 160.37 3.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.298 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -65.55 -26.49 67.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.06 0.457 . . . . 0.0 110.246 -178.7 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.95 -12.17 60.57 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.69 20.83 10.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.058 0.543 . . . . 0.0 111.621 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -98.02 -28.96 13.54 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 65.1 m-85 -113.1 135.36 53.89 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -122.25 122.28 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -93.0 113.32 25.57 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.43 154.62 20.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.743 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.68 122.36 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.0 t -107.36 119.73 57.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.381 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 15.6 m -111.83 107.98 17.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' HD22 ' A' ' 37' ' ' LEU . 26.8 ptm -131.67 163.05 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 30.2 mt-10 -76.95 150.02 35.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 72' ' ' ARG . 15.3 m -135.76 126.76 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 19.5 t -87.35 -20.69 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.367 . . . . 0.0 110.297 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.9 p30 -146.64 179.99 7.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HG3' ' NE ' ' A' ' 72' ' ' ARG . 33.4 tt0 -79.26 -30.65 43.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.853 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.446 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 27.7 m -60.71 -40.35 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.415 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 33.6 mt-10 -57.8 -55.05 39.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.152 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 6.6 ppt_? -63.87 -13.48 45.44 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -95.68 -40.55 9.33 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.957 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -70.67 -44.17 67.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.845 0.355 . . . . 0.0 110.29 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.56 HD13 ' SD ' ' A' ' 64' ' ' MET . 67.3 mt -56.26 -43.41 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.377 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.63 -38.51 69.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.585 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.21 -37.4 66.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.418 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 78.8 mttt -67.08 -34.99 78.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.927 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -62.47 -28.49 44.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.606 176.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 m -79.56 -1.15 36.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.295 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -97.72 1.07 48.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 1.6 mt -73.73 -24.84 59.96 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.533 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 32.1 t70 73.16 -37.0 0.37 Allowed 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.779 0.674 . . . . 0.0 111.162 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 82' ' ' LEU . 70.0 mttt -71.08 -14.41 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.265 0.626 . . . . 0.0 111.078 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.79 136.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.636 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.75 -12.34 11.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.568 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.1 tp60 -156.56 137.05 13.09 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.183 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.0 p -138.87 121.79 16.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.3 mp . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 8.6 Cg_exo -74.09 152.87 98.78 Favored 'Cis proline' 0 C--N 1.351 0.674 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.528 -1.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -161.51 161.11 29.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.3 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.7 106.66 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -91.8 147.74 22.76 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.87 138.62 39.52 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 85.2 m-85 -132.81 106.95 8.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.297 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.819 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.2 tpp180 -83.35 110.74 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 79' ' ' ILE . 36.3 t -108.89 117.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -173.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -109.31 111.38 35.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 110.4 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 42.9 mtm -118.74 163.7 16.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.519 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -98.1 20.68 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 84' ' ' LYS . 9.3 t -147.37 154.36 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.464 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -90.2 -11.63 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.715 174.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.9 79.37 3.47 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -97.31 100.64 12.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.705 0.764 . . . . 0.0 110.097 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 30.9 t -123.39 -64.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.661 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -50.29 -31.51 14.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.6 tp -59.29 -43.66 92.55 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.367 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 8.8 mtmp? -73.62 -43.43 59.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.035 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' THR . 12.3 mm-40 -55.44 -46.37 76.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.97 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.03 -32.16 73.46 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' SD ' ' A' ' 64' ' ' MET . 49.1 mt -71.32 -41.76 69.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 109.663 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.64 -22.67 63.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.027 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -63.21 -31.35 72.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 110.504 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.517 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 95.4 m-85 -74.01 -9.8 59.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.346 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 60.41 19.33 8.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 12.1 ptp180 -112.0 149.9 41.59 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.31 138.78 68.09 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.427 2.085 . . . . 0.0 112.342 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -131.94 154.41 49.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 26.4 tttm -107.37 107.82 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.958 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 tp -95.5 126.96 41.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.356 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 54.7 mm-40 -126.21 130.96 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -111.4 108.97 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.26 -65.08 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.123 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -176.71 164.43 2.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -84.37 145.56 28.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.198 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -65.75 163.6 16.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.345 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 10.3 tmtt? -57.99 -34.52 70.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.188 0.518 . . . . 0.0 109.665 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.25 -38.32 0.39 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.701 0.8 . . . . 0.0 112.408 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -57.45 -21.08 34.73 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.824 0.449 . . . . 0.0 111.66 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -113.45 143.17 44.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -128.65 131.44 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.542 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.4 m -92.81 111.54 23.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.107 0.48 . . . . 0.0 111.205 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.54 164.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.5 t30 -150.82 135.67 17.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.9 140.61 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 11.1 m -134.09 107.31 7.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 75' ' ' ILE . 26.8 ptm -130.95 156.66 44.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.752 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.51 119.92 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.779 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 75' ' ' ILE . 27.7 m -106.82 128.09 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 15.7 m -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.406 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.8 p30 -166.13 -175.71 3.43 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 37.4 tt0 -58.91 -41.11 86.49 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.114 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.4 m -56.59 -41.59 77.25 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.464 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 67' ' ' SER . 35.2 mm-40 -61.0 -56.12 24.82 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.554 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.6 ptt180 -55.97 -34.29 65.57 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 -174.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -75.26 -40.32 58.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.1 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 5.8 pt-20 -71.75 -42.69 66.93 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.177 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.623 HG21 ' SD ' ' A' ' 64' ' ' MET . 73.7 mt -64.55 -40.01 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.679 -178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -52.59 -41.01 63.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.234 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 46.2 mt-30 -73.83 -39.07 64.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -53.98 -43.09 69.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.322 0.582 . . . . 0.0 109.723 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.2 mt -65.84 -28.76 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.259 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.0 t -75.68 -19.62 59.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.853 0.359 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 96.2 mt-30 -80.71 1.61 29.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.5 mt -74.37 -20.55 60.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.802 -176.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 74.24 -34.62 0.28 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.705 0.628 . . . . 0.0 111.577 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.528 ' HE2' HG21 ' A' ' 27' ' ' THR . 25.1 mtpt -78.42 -9.16 59.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.731 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 8.5 p -91.06 139.49 17.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.4 -30.48 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.326 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.01 132.92 17.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.98 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 p -122.09 116.23 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.303 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp . . . . . 0 C--N 1.331 -0.237 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -82.02 166.58 70.99 Favored 'Cis proline' 0 C--N 1.35 0.634 0 C-N-CA 123.595 -1.419 . . . . 0.0 113.222 4.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.9 t -161.08 154.94 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.112 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.78 103.43 10.61 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.2 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -91.69 142.47 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.914 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.99 129.59 51.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.79 114.93 26.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.886 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.6 tpt180 -83.24 110.03 17.73 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 25' ' ' MET . 42.9 t -108.7 105.47 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.5 mt -100.7 104.71 16.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 53.1 mtm -113.92 161.9 17.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -88.83 -0.35 57.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 84' ' ' LYS . 13.5 t -130.33 153.86 48.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 51.1 mtmt -95.95 6.46 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.256 0.551 . . . . 0.0 109.713 173.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.34 75.74 2.44 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.216 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.463 HG21 HD21 ' A' ' 46' ' ' LEU . 4.8 t -87.21 99.25 11.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.919 0.866 . . . . 0.0 109.205 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -137.72 -59.75 0.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.866 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.5 m -52.55 -35.93 54.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.042 173.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.2 tp -63.84 -41.15 97.9 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.938 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 54.0 mtmt -72.07 -42.18 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.689 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' THR . 72.3 mm-40 -51.5 -49.05 62.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.6 pp -64.99 -32.65 74.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.579 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -72.23 -40.53 67.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.004 0.431 . . . . 0.0 110.688 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 43.7 mt-10 -70.76 -22.46 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.986 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.5 p -58.49 -32.07 68.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.1 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -78.6 -4.7 50.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.617 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 56.9 23.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.735 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 7.4 ptp180 -111.56 156.97 40.55 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.58 144.51 60.84 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.479 2.12 . . . . 0.0 112.37 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -147.62 155.96 42.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.984 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 85.2 tttt -115.68 123.07 47.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 HG21 ' A' ' 30' ' ' THR . 55.7 tp -103.26 116.05 31.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -125.95 149.54 48.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 111.778 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -105.38 110.3 22.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.0 mmpt? -82.95 -71.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.019 -175.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -142.57 176.86 8.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -147.25 145.14 29.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.805 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.3 t -61.35 158.92 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.783 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.67 -29.43 70.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.969 -178.51 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -89.01 -2.67 58.69 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.71 17.08 8.38 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.479 0.711 . . . . 0.0 112.337 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -77.21 -29.73 54.37 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.013 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -112.93 116.19 29.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.412 -175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -106.04 115.16 29.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -90.56 112.87 24.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-85 -104.73 161.05 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.928 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.48 122.45 20.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.66 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 86.5 t -115.92 119.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.226 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 69.8 p -107.26 111.44 23.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.554 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.4 ptm -139.47 162.84 34.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.277 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 38.6 mt-10 -77.43 148.82 35.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.69 126.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.3 t -89.53 -27.91 19.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.298 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.28 170.83 20.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.698 176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.222 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.2 t -52.6 -39.77 61.98 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.129 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -76.08 -42.45 47.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.2 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HD2' ' O ' ' A' ' 72' ' ' ARG . 5.0 tmm_? -56.78 -34.77 67.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.048 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -82.93 -53.42 5.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.9 tt0 -53.85 -50.34 66.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -175.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 79' ' ' ILE . 84.5 mt -60.06 -43.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.372 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.53 -35.22 70.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.364 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -76.35 -38.75 55.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.583 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.0 mmtp -56.93 -43.85 81.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.267 0.555 . . . . 0.0 110.065 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.3 mt -63.46 -29.2 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.519 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.526 ' HA ' HG11 ' A' ' 85' ' ' VAL . 63.0 p -81.59 -17.34 48.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.105 -0.372 . . . . 0.0 111.411 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 97.5 mt-30 -78.75 1.56 22.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.651 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 7.7 mt -78.06 -26.5 48.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.535 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.9 t70 72.57 -32.13 0.24 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HB3' HG22 ' A' ' 27' ' ' THR . 79.2 mttt -66.6 -20.52 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.493 0.717 . . . . 0.0 110.843 176.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 80' ' ' SER . 13.5 p -88.49 141.69 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.996 -176.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.05 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.252 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -148.98 137.3 20.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.737 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -129.91 127.15 39.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.16 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.271 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 85.4 Cg_endo -85.08 160.38 64.9 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.564 -1.431 . . . . 0.0 113.286 0.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -162.39 158.33 23.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.251 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -73.34 110.36 7.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -91.96 134.36 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -95.72 118.66 32.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.325 . . . . 0.0 110.657 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -109.4 145.46 36.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.957 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.775 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 15.7 tpp85 -116.48 113.55 22.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HG3' ' A' ' 25' ' ' MET . 23.0 t -110.83 103.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -173.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 69.6 mt -92.54 105.18 16.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 0.0 110.115 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.527 ' HG3' HG12 ' A' ' 23' ' ' VAL . 82.0 mtp -108.0 153.53 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.437 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 p -93.29 21.18 6.26 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.129 0.49 . . . . 0.0 110.839 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 84' ' ' LYS . 15.4 t -155.65 146.77 22.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.4 mtmp? -89.08 -1.48 58.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.707 172.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -76.83 72.36 3.42 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.512 0.672 . . . . 0.0 109.334 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -87.07 124.9 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.108 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -145.17 -70.62 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.114 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.567 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.3 m -51.33 -32.82 26.77 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.4 tp -57.42 -45.81 84.22 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.966 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.03 -40.5 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -58.09 -43.92 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -65.27 -31.37 72.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 110.422 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.638 HD22 ' SD ' ' A' ' 64' ' ' MET . 61.2 mt -71.47 -40.41 70.28 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.337 0.589 . . . . 0.0 110.161 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -60.94 -27.11 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.918 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.9 p -61.81 -24.51 66.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -84.04 -7.65 59.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 57.34 27.46 13.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.567 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.5 ptp180 -119.15 153.46 53.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.725 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.01 155.09 57.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -147.85 156.87 43.17 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -101.28 117.74 35.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.617 177.782 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -109.31 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.051 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -138.91 155.52 48.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -103.48 128.63 50.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.513 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -81.87 -77.45 0.22 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -172.47 152.29 2.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.7 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.567 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -92.19 136.93 32.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.9 m -64.42 87.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.34 -176.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.688 ' HG3' ' H ' ' A' ' 54' ' ' ASN . 10.0 ptpp? 35.08 -71.23 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.334 1.454 . . . . 0.0 114.489 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.688 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 60.8 t30 -66.34 -9.75 36.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.932 0.493 . . . . 0.0 111.026 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 73.26 14.77 4.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.71 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -76.59 -28.75 56.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.55 137.13 54.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -117.01 116.52 27.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -90.01 114.87 26.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.054 0.454 . . . . 0.0 110.466 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 94.6 m-85 -104.9 159.51 15.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.679 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -131.32 122.56 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.029 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.21 118.87 57.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.149 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -111.82 107.15 16.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.665 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.0 ptm -129.31 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.405 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 32.5 mt-10 -70.56 143.21 51.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.12 126.94 67.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 167.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 t -96.54 -11.23 25.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.716 0.293 . . . . 0.0 110.431 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 7.8 p30 -159.7 179.44 8.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.253 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.25 -30.08 48.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.463 -173.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.445 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 34.4 t -59.12 -44.47 92.02 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.29 -42.33 98.47 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.354 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -54.31 -51.95 63.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 53.9 m-80 -72.23 -35.32 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.994 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 31.0 tt0 -66.3 -52.54 46.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.665 HD13 ' SD ' ' A' ' 64' ' ' MET . 89.6 mt -57.94 -41.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.844 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.84 -40.36 69.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 74.6 mt-30 -70.97 -43.44 68.08 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.474 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 35.6 mmtp -55.12 -43.31 73.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.185 0.517 . . . . 0.0 110.539 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.7 mt -60.79 -29.26 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.148 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -82.75 -3.03 55.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.612 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -93.19 1.14 57.24 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.2 mt -76.63 -23.34 53.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.071 -175.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.7 t70 73.24 -40.64 0.48 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.178 0.591 . . . . 0.0 110.527 -172.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 27' ' ' THR . 92.8 mttt -58.29 -28.4 64.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.305 0.642 . . . . 0.0 111.427 177.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 11.5 p -84.41 140.4 16.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.36 -27.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.876 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HG3' HD11 ' A' ' 89' ' ' LEU . 50.4 tp60 -141.14 122.54 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.2 p -112.68 127.44 56.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.337 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.3 mp . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.409 ' OH ' ' HD3' ' A' ' 72' ' ' ARG . 96.4 m-85 . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.5 Cg_endo -75.14 157.8 99.23 Favored 'Cis proline' 0 C--N 1.354 0.861 0 C-N-CA 123.926 -1.281 . . . . 0.0 113.339 0.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -171.06 163.34 7.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.91 138.2 39.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.431 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -120.88 139.19 53.54 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.15 119.19 32.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.649 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -110.75 138.46 47.12 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.739 0.416 . . . . 0.0 110.56 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.3 tpp180 -111.16 110.94 21.68 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 26.3 t -113.91 108.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.779 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.51 111.21 31.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.501 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 79.5 mtp -115.24 165.47 12.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -98.49 14.62 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -157.62 161.22 38.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 47.0 mtpt -97.66 -8.36 28.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.114 0.483 . . . . 0.0 109.916 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.11 79.45 5.51 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' THR . 9.7 t -111.95 104.17 12.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.587 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 26.2 m -112.15 -49.04 2.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.226 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 m -54.29 -35.85 63.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.123 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 82' ' ' LEU . 52.0 tp -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.388 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 48.4 mtmt -66.35 -45.37 80.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 39' ' ' THR . 46.6 mt-10 -54.03 -47.37 71.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.842 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -66.61 -33.13 74.98 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.677 HD22 ' SD ' ' A' ' 64' ' ' MET . 84.4 mt -69.88 -39.11 76.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.9 mt-10 -71.08 -22.35 62.12 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.091 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.7 p -63.64 -23.2 67.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.924 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 75' ' ' ILE . 86.3 m-85 -82.94 -8.06 59.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.56 22.28 13.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 8.8 ptp180 -118.61 156.05 51.76 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.98 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.17 158.51 54.67 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.626 2.218 . . . . 0.0 112.677 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.25 173.36 16.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 61' ' ' ASN . 19.6 ttmm -114.96 143.2 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.511 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.8 tp -127.53 106.37 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.38 120.36 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 111.159 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.78 127.2 32.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.064 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -90.61 -73.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.667 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -155.66 148.55 24.32 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.891 0.377 . . . . 0.0 110.771 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.1 t -87.54 146.54 25.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 35.8 t -59.29 170.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.36 -47.35 75.9 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.547 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -82.93 1.66 38.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.2 9.41 4.75 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -86.2 -22.67 26.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.145 0.498 . . . . 0.0 110.837 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 71.1 m-85 -112.74 145.74 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -129.21 118.47 22.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.834 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -87.05 113.3 22.69 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.964 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 90.8 m-85 -105.07 157.51 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.237 0.541 . . . . 0.0 110.164 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.431 HD22 ' HD2' ' A' ' 45' ' ' LYS . 5.5 t30 -117.67 121.58 41.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.48 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.87 119.39 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 p -128.23 123.98 35.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.677 ' SD ' HD22 ' A' ' 37' ' ' LEU . 21.0 ptm -146.59 160.23 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.14 145.94 33.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -126.04 127.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 42.2 m -83.96 -27.24 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -141.78 178.16 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.298 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG3' ' NH1' ' A' ' 72' ' ' ARG . 36.0 tt0 -78.95 -32.88 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.833 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 m -56.93 -37.91 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.107 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.5 -39.56 88.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' NH1' ' HG3' ' A' ' 69' ' ' GLU . 42.6 ttp180 -54.66 -50.47 68.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.191 0.52 . . . . 0.0 110.347 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 7.1 m-20 -70.37 -43.93 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.258 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -51.22 -59.22 4.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.445 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.521 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.7 mt -60.71 -38.39 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.23 -45.21 88.12 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.522 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 47.1 mt-30 -63.75 -44.51 93.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.216 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -60.3 -43.76 96.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.238 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.4 mt -58.71 -29.68 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.275 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -85.56 7.5 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.445 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.69 7.46 37.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 3.9 mt -72.1 -20.23 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.154 -0.342 . . . . 0.0 110.545 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 19.2 t70 73.31 -42.93 0.54 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.999 0.812 . . . . 0.0 110.348 -172.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.9 mttt -63.15 -25.87 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 9.0 p -82.79 127.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.367 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.4 m -103.48 -16.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.481 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -153.85 135.92 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.974 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -131.85 111.2 11.39 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.373 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.704 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.1 mm? . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 96.1 Cg_endo -80.84 164.89 77.44 Favored 'Cis proline' 0 C--N 1.356 0.946 0 C-N-CA 123.943 -1.274 . . . . 0.0 112.991 1.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -155.36 149.09 25.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.231 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.74 103.44 6.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.661 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -98.65 146.11 26.18 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.293 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -104.09 141.3 36.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 74.1 m-85 -128.33 116.98 20.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.175 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 4.3 tpp180 -80.69 110.98 16.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.3 t -112.09 107.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 -176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.0 mt -99.3 109.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.3 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.547 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 78.8 mtp -114.17 150.58 33.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 23.3 p -88.37 33.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 110.883 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.578 HG21 ' HE3' ' A' ' 84' ' ' LYS . 8.7 t -156.9 156.05 32.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -93.24 -9.74 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 171.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -87.24 83.74 7.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.277 0.561 . . . . 0.0 109.997 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.6 t -84.2 99.33 10.46 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 p -111.94 -77.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.417 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.501 ' HB ' HD22 ' A' ' 82' ' ' LEU . 6.7 m -51.21 -30.96 18.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 -177.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.4 tp -59.07 -53.5 57.63 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 54.4 mtmt -66.07 -38.18 87.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.474 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 31' ' ' SER . 45.5 mm-40 -56.15 -51.0 69.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -66.41 -31.93 73.0 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -176.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' A' ' 64' ' ' MET . 95.3 mt -65.06 -42.18 94.43 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.963 0.411 . . . . 0.0 110.624 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 48.7 mt-10 -67.29 -24.77 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.874 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 p -64.48 -18.68 65.01 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.651 0.262 . . . . 0.0 111.517 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -82.37 -4.96 58.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.125 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 61.86 17.71 9.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.3 ptp180 -115.07 154.79 47.18 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.16 147.58 67.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.384 2.056 . . . . 0.0 112.1 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -137.65 172.92 12.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.444 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 58.9 tptt -135.61 122.6 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.65 107.4 16.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -119.45 129.16 54.62 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.743 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.417 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 86.1 t80 -84.81 107.66 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -86.94 -53.42 4.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -155.45 163.7 39.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.007 -173.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.417 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 15.1 t -128.08 145.61 50.94 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.763 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 16.5 t -62.19 160.12 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -62.13 -33.87 75.29 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -79.21 -10.05 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.306 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.23 17.51 4.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.225 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 26' ' ' THR . 39.3 ttmt -95.45 -26.4 15.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.488 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 78.5 m-85 -113.4 118.51 34.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.769 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -109.44 127.83 54.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.211 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -91.86 112.24 24.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.962 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -105.79 151.15 24.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.412 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -120.64 121.28 37.98 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 88.2 t -107.48 119.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.769 177.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -119.2 114.36 22.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.91 0.386 . . . . 0.0 110.069 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.9 ptm -140.99 165.54 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.883 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 35.1 mt-10 -73.67 150.97 40.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.895 0.378 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.45 126.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 167.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 38.5 t -90.49 -33.97 15.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.138 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.3 p30 -130.63 173.86 10.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.207 0.527 . . . . 0.0 110.596 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.64 ' HG3' HH21 ' A' ' 72' ' ' ARG . 45.0 tt0 -79.13 -26.96 42.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.601 -175.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.457 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 22.6 t -64.59 -39.46 93.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.412 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.67 -38.61 75.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.647 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.64 HH21 ' HG3' ' A' ' 69' ' ' GLU . 13.0 ttp180 -59.65 -26.73 65.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.57 -45.44 10.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.085 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 33.9 tt0 -58.93 -56.24 24.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.101 -178.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.1 mt -56.96 -41.46 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.444 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.56 -43.37 75.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.503 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 78.4 mt-30 -69.17 -41.43 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.72 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 75.8 mmtt -56.34 -42.06 77.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 109.999 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.1 mt -62.83 -29.42 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.988 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 t -77.96 -21.58 50.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 96.4 mt-30 -71.23 -10.37 59.65 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.772 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -67.48 -35.53 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.393 -176.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.4 t70 73.18 -37.65 0.39 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.496 0.719 . . . . 0.0 111.167 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.578 ' HE3' HG21 ' A' ' 27' ' ' THR . 14.2 mtpp -57.37 -27.18 62.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 175.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 8.9 p -84.35 139.96 16.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.606 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 m -109.45 -24.82 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -141.43 119.35 11.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.5 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.8 p -112.01 122.74 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.203 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 6.7 mp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.433 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 . . . . . 0 C--O 1.233 0.233 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 83.0 Cg_endo -78.28 163.54 86.78 Favored 'Cis proline' 0 C--N 1.352 0.736 0 C-N-CA 123.653 -1.394 . . . . 0.0 113.031 1.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -167.54 165.36 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.348 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -83.77 106.94 15.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.434 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -96.67 143.59 27.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.108 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -98.09 137.28 37.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.1 m-85 -124.02 119.89 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.137 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 9.8 tpt180 -82.92 109.41 17.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 60' ' ' PHE . 33.2 t -109.29 104.26 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.23 -176.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -101.2 102.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.873 0.368 . . . . 0.0 110.493 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 52.1 mtm -112.59 157.44 21.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -94.91 32.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.572 HG21 ' HE2' ' A' ' 84' ' ' LYS . 8.8 t -153.32 155.28 36.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.335 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 3.4 mmmp? -93.97 -9.27 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.59 85.8 6.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.043 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 3.8 t -93.02 100.36 12.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -125.89 -64.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.835 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -52.39 -35.14 50.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.875 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 60.2 tp -58.39 -54.51 46.19 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.544 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 52.2 mtmt -64.42 -39.79 94.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 39' ' ' THR . 78.0 mm-40 -54.66 -48.81 71.88 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 78' ' ' LYS . 1.6 pp -64.57 -32.75 74.53 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' ' 64' ' ' MET . 65.2 mt -68.9 -41.73 77.86 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.351 0.596 . . . . 0.0 110.21 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.8 mt-10 -74.62 -20.35 59.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.001 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 35' ' ' GLU . 51.8 p -63.36 -28.24 69.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 111.108 177.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.09 -9.59 58.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.053 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 60.79 28.29 18.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.988 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 5.6 ptp180 -114.72 157.47 42.91 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.174 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.39 158.17 54.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 0.0 111.767 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -153.11 163.54 39.67 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.211 0.529 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 38.2 ttpt -115.51 103.68 10.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.521 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -91.16 120.15 31.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.86 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -126.41 140.88 52.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.847 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -109.18 107.98 18.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.1 -67.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.995 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 51' ' ' THR . 41.2 t-20 -170.63 157.05 5.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.588 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -89.08 145.52 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' ASN . 31.9 m -69.27 86.26 0.4 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.268 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 47.0 -82.36 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.411 1.085 . . . . 0.0 113.263 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' SER . 60.1 t30 -82.26 23.94 0.7 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 111.366 -172.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 59.76 20.63 9.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.86 -40.1 75.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.573 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -132.87 151.04 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -117.99 114.84 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -87.91 112.14 22.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.411 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 99.2 m-85 -105.51 158.1 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.511 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.92 122.14 20.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.09 119.49 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.9 m -107.25 109.31 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.8 ptm -134.62 160.49 37.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 26.9 mt-10 -73.21 146.02 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 17.6 m -134.12 127.48 51.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.546 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 36.0 t -81.41 -24.41 36.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -177.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -162.59 176.09 10.74 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.168 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 35.2 tt0 -65.81 -31.07 71.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -57.1 -42.46 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.346 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.94 -48.01 67.1 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.273 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 8.6 ptm180 -59.35 -35.96 74.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.599 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 80.6 m-20 -73.04 -43.07 62.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.205 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 38.0 tt0 -57.18 -53.3 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.176 0.512 . . . . 0.0 110.25 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.487 HG21 ' SD ' ' A' ' 64' ' ' MET . 63.8 mt -58.54 -45.66 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.599 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.87 -39.24 62.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.128 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.8 mt-30 -71.49 -42.96 67.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.232 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HB2' HD13 ' A' ' 36' ' ' LEU . 72.9 mttt -64.17 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 73.2 mt -59.98 -29.16 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' HG11 ' A' ' 85' ' ' VAL . 22.8 t -84.43 -18.53 35.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 99.0 mt-30 -79.61 7.16 8.85 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.979 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 9.6 mt -78.1 -25.15 47.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.1 t70 74.39 -36.95 0.34 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.619 0.767 . . . . 0.0 111.273 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.572 ' HE2' HG21 ' A' ' 27' ' ' THR . 26.9 mtpt -68.06 -12.65 61.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.183 0.516 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.6 p -95.47 135.09 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.609 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.4 -27.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -151.12 128.83 11.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.82 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 p -120.59 118.16 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.249 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.861 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -80.3 161.79 84.14 Favored 'Cis proline' 0 C--N 1.351 0.675 0 C-N-CA 123.67 -1.388 . . . . 0.0 112.995 1.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -164.93 163.84 20.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.594 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.17 103.39 11.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.839 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -93.8 140.59 29.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.92 137.07 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.842 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 98.5 m-85 -123.18 115.93 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.879 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 14.2 tpt180 -84.19 112.03 19.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.425 HG22 HG21 ' A' ' 79' ' ' ILE . 27.5 t -120.25 140.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 55.3 mt -133.93 122.15 41.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 172.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 68.9 mtm -126.59 161.68 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -92.92 12.8 22.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.634 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -134.85 140.7 46.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.066 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -82.37 -16.96 47.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -87.29 92.99 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.656 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 4.9 t -103.4 101.19 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.894 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.9 m -104.33 -60.8 1.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.991 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -49.37 -42.11 41.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' HB3' ' OG1' ' A' ' 30' ' ' THR . 9.7 tt -61.15 -38.39 86.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.494 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HE3' ' O ' ' A' ' 30' ' ' THR . 10.4 mtmp? -75.04 -38.37 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.632 0.253 . . . . 0.0 110.365 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' SER . 30.7 mm-40 -57.28 -46.79 82.78 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.3 pp -65.18 -31.05 72.04 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 93.9 mt -73.48 -39.93 64.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.094 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 61.3 mm-40 -61.56 -30.53 70.71 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.33 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -67.04 -11.79 58.06 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.96 -9.68 42.13 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 54.62 36.62 26.43 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.772 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -129.6 154.92 80.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.19 154.41 72.38 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.283 1.989 . . . . 0.0 111.949 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -155.14 149.94 26.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.137 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 56.3 tttp -96.62 103.17 15.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 tp -86.34 106.23 17.24 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 20.5 mm-40 -109.42 141.41 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.783 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 58' ' ' TYR . 82.2 t80 -111.41 106.81 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 166.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 61' ' ' ASN . 75.3 mmtt -84.34 -44.94 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.257 -171.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -171.15 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.663 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 5.2 t -127.16 146.44 50.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 p -56.99 155.7 7.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.31 -29.42 70.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.664 0.269 . . . . 0.0 111.13 -175.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -78.54 -10.0 59.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 63.47 28.24 15.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.045 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.599 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -102.76 -23.3 13.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.604 176.33 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -116.71 114.75 24.46 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.071 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' PHE . 40.5 m-85 -104.46 123.94 48.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.283 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -94.87 113.04 24.73 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 111.09 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -105.08 163.97 12.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.539 176.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.438 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 6.3 t30 -145.91 123.27 11.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 59.4 t -102.16 119.22 50.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 15.7 m -113.41 105.74 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.7 ptm -134.66 153.45 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 -173.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.13 117.41 14.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.582 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.5 m -105.77 127.57 60.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 22.1 t -85.46 -22.96 28.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -155.98 -179.07 7.78 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.47 -29.84 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.184 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -63.19 -31.51 72.68 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.1 mt-10 -69.05 -45.29 70.78 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.831 173.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -54.19 -53.3 55.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.73 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -59.67 -35.11 73.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 28.4 tt0 -68.51 -48.15 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 71' ' ' GLU . 70.1 mt -62.07 -37.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.607 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -58.82 -45.03 90.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 52.2 mt-30 -64.04 -43.54 95.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.307 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HB3' HD22 ' A' ' 36' ' ' LEU . 74.1 mmtt -53.09 -47.24 68.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.196 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -63.76 -29.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.879 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 t -80.64 -10.26 59.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.833 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 97.8 mt-30 -88.1 -9.54 52.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt -70.38 -26.62 63.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.749 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.1 t70 73.02 -34.59 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.627 0.58 . . . . 0.0 111.155 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 82' ' ' LEU . 81.7 mttt -68.54 -11.85 60.47 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.382 0.673 . . . . 0.0 111.37 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 14.8 p -84.97 142.13 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.939 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.4 -2.49 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.6 tp-100 -159.1 127.65 5.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.013 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 p -133.1 112.79 12.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.32 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.914 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.4 mp . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.8 Cg_endo -80.2 163.49 82.08 Favored 'Cis proline' 0 C--N 1.351 0.689 0 C-N-CA 123.715 -1.369 . . . . 0.0 112.755 -0.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 51.4 t -172.09 164.9 6.18 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.112 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 62.2 mt -70.68 109.73 5.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.177 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -94.0 128.1 40.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -98.58 124.26 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.153 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 63.7 m-85 -100.48 135.48 41.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.186 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.822 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.5 tpt180 -92.53 109.07 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.1 t -112.02 131.63 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.499 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -118.91 107.82 22.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.236 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.449 ' HG3' HG12 ' A' ' 23' ' ' VAL . 80.6 mtp -115.77 159.2 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 p -96.48 14.63 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.51 HG21 ' HE3' ' A' ' 84' ' ' LYS . 11.2 t -138.6 157.28 46.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -175.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -97.81 -7.47 30.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.979 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.89 100.2 9.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.979 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 30' ' ' THR . 9.1 t -130.41 100.48 5.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.857 0.837 . . . . 0.0 110.549 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 35.5 t -98.05 -43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.642 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.7 m -54.89 -29.1 55.0 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 82' ' ' LEU . 39.5 tp -61.07 -45.35 95.11 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.386 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -73.85 -33.53 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.2 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 19.0 mm-40 -56.07 -47.73 77.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.0 pp -65.55 -30.62 71.39 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -74.25 -35.66 63.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.62 -25.0 67.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -62.16 -36.55 82.19 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 110.097 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.59 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 87.9 m-85 -80.95 -27.74 35.93 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 57.33 31.78 20.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.59 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -110.43 150.07 41.11 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.35 137.87 83.58 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.674 2.249 . . . . 0.0 112.015 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -144.52 150.55 37.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 36.3 ttpt -112.41 114.71 27.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 tt -109.12 107.1 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 13.2 mm-40 -125.04 154.52 41.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.266 -173.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 87.3 t80 -92.99 108.44 20.0 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 68.9 mmtt -74.85 -61.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.262 -176.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -166.57 170.23 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.652 -173.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.4 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 9.0 t -142.82 145.98 33.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -57.71 150.5 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -53.98 -33.64 57.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -76.4 -15.02 60.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 26.61 12.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.472 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -89.33 -36.64 15.42 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.3 124.22 51.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.206 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -110.79 131.78 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.033 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -100.88 113.32 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -104.9 165.8 10.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.318 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.471 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.9 t30 -124.23 128.67 49.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.582 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 33' ' ' LEU . 72.3 t -116.75 118.45 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 33.0 m -126.41 106.88 9.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.575 ' SD ' HD13 ' A' ' 75' ' ' ILE . 23.4 ptm -135.31 151.93 51.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.199 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.05 115.59 8.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.38 127.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.521 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 6.6 m -61.75 -44.73 96.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.555 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -164.53 -167.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.987 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' HD21 ' A' ' 73' ' ' ASN . 41.6 tt0 -57.0 -33.72 67.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.681 0.277 . . . . 0.0 111.415 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 t -56.33 -47.6 78.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.96 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 11.9 mp0 -66.37 -50.13 64.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.002 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -62.72 -14.89 49.76 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.055 -177.207 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 HD21 ' HG2' ' A' ' 69' ' ' GLU . 94.5 m-20 -85.74 -48.15 9.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.517 174.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 13.8 pt-20 -64.62 -44.49 90.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.784 -176.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.575 HD13 ' SD ' ' A' ' 64' ' ' MET . 64.1 mt -62.88 -40.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.661 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.82 -38.45 67.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.434 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.17 -37.18 72.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.706 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 70.4 mmtt -60.23 -37.71 81.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.117 0.485 . . . . 0.0 109.92 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.3 mm -60.05 -29.3 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.103 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.1 t -77.3 -19.3 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -83.64 6.13 21.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.1 mt -79.28 -20.66 47.47 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.8 t70 75.82 -32.87 0.21 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.834 0.709 . . . . 0.0 111.661 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HE3' HG21 ' A' ' 27' ' ' THR . 8.6 mtpp -86.89 6.08 33.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.934 0.397 . . . . 0.0 111.148 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 133.11 49.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.454 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -99.13 -33.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.301 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.499 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.3 tp-100 -139.96 136.79 34.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -127.75 120.97 29.08 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 mp . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.1 Cg_exo -79.77 146.35 75.44 Favored 'Cis proline' 0 C--N 1.351 0.704 0 C-N-CA 123.988 -1.255 . . . . 0.0 112.211 -1.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 49.9 t -159.39 173.71 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -81.81 123.53 28.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.627 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -106.79 141.78 37.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.7 119.03 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.666 -175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.91 124.52 52.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.022 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.673 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 19.1 tpp85 -98.15 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.5 116.8 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.9 mt -106.89 116.47 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 65.5 mtm -121.33 166.87 13.44 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -98.72 16.4 22.24 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.16 0.505 . . . . 0.0 111.07 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -135.34 159.01 42.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.657 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -90.8 -14.69 31.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 170.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.79 85.11 4.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -91.78 99.75 12.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.346 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 15.0 m -128.25 -64.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.638 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -49.5 -36.74 23.97 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.155 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 56.3 tp -59.54 -42.33 92.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.5 mtmt -75.25 -34.23 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.69 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' THR . 15.2 mm-40 -55.82 -51.2 68.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.79 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.9 pp -62.23 -31.04 71.53 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.517 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.1 mt -69.73 -42.65 73.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.18 -23.22 61.24 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.991 -175.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' GLU . 68.7 p -64.37 -21.3 66.58 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.053 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -84.04 -9.05 58.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.633 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 60.57 33.06 20.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.494 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 16.3 ptp180 -123.98 153.78 67.69 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.85 154.49 70.94 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.456 2.104 . . . . 0.0 112.444 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -148.75 160.2 43.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.838 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.619 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 4.1 tmmm? -117.27 110.75 18.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD22 ' HD3' ' A' ' 34' ' ' LYS . 59.2 tp -95.29 134.47 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 156.4 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.644 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -109.12 135.87 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mmpm? -105.05 -73.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.485 0.184 . . . . 0.0 111.132 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -146.19 167.29 23.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -131.29 146.88 52.49 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.269 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.0 t -62.45 165.03 6.56 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.423 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -56.99 -40.36 76.43 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.66 9.62 31.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.93 26.13 12.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.381 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -28.71 37.5 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.75 138.85 54.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.235 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -123.49 122.11 37.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -97.85 114.59 26.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.888 0.375 . . . . 0.0 110.754 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.35 145.07 31.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.547 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -107.05 122.48 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.562 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 33' ' ' LEU . 67.1 t -124.83 119.74 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 41.8 p -120.73 119.47 32.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.614 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.5 ptm -137.77 162.72 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.396 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.75 143.46 47.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -134.01 128.11 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.218 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 28.2 t -85.69 -27.92 25.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -152.6 -179.69 7.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.08 0.467 . . . . 0.0 111.312 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -75.02 -28.56 60.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.539 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 -39.82 83.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.353 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 74' ' ' GLU . 79.5 mt-10 -72.68 -27.25 61.97 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -56.13 -45.08 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 109.502 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.6 m-20 -77.91 -38.8 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 71' ' ' GLU . 13.4 tp10 -56.54 -58.68 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.974 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.614 HD13 ' SD ' ' A' ' 64' ' ' MET . 65.9 mt -63.14 -35.43 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.505 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -55.85 -46.07 78.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.267 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -63.47 -43.49 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.462 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -55.48 -44.62 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.76 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.9 mt -62.64 -29.35 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.841 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.9 p -85.29 3.21 40.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.817 -0.552 . . . . 0.0 111.728 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 89.7 mt-30 -100.28 14.99 29.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.575 0.226 . . . . 0.0 111.135 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 32.9 mt -82.64 -23.0 34.48 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -175.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 73.36 -47.49 0.66 Allowed 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.656 0.598 . . . . 0.0 110.897 -174.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -63.0 -23.99 67.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.212 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 12.5 p -79.01 140.98 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.365 -175.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.16 -22.52 4.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.062 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.5 tp-100 -141.89 132.32 25.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 110.358 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.52 HG22 HG22 ' A' ' 79' ' ' ILE . 16.4 p -126.92 110.05 12.6 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.091 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--O 1.235 0.341 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.59 155.22 76.3 Favored 'Cis proline' 0 C--N 1.351 0.666 0 C-N-CA 124.374 -1.094 . . . . 0.0 112.297 -1.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -160.8 158.96 29.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.568 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.72 103.84 1.5 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.887 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -96.74 141.92 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.36 130.78 42.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 111.418 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -124.26 109.49 13.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.664 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.809 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 12.6 tpp85 -88.24 113.91 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 35.8 t -107.35 129.52 61.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.456 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.9 mt -121.44 112.52 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 65.7 mtm -119.56 171.82 8.09 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.381 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -95.74 19.24 11.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.019 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.0 t -148.06 161.9 40.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -91.15 -10.74 40.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.753 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.63 86.3 3.95 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.828 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.516 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.1 t -94.98 99.72 11.69 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 32.5 t -124.77 -62.65 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.106 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.5 m -49.06 -36.49 18.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.771 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -58.59 -49.43 77.48 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.347 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 30' ' ' THR . 51.6 mtmt -63.17 -45.74 90.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 24.4 mm-40 -52.44 -51.18 60.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.269 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.6 pp -66.08 -31.05 71.69 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.644 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.0 mt -70.56 -40.3 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.462 . . . . 0.0 110.438 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 37.0 mt-10 -72.18 -19.69 61.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.834 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.0 p -64.1 -26.42 68.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -75.91 -8.06 56.03 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.382 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 64.41 19.4 11.78 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.513 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD2' ' SD ' ' A' ' 64' ' ' MET . 4.7 ptp180 -113.14 153.88 45.28 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.415 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.75 156.67 44.13 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.527 2.151 . . . . 0.0 111.543 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.88 154.9 41.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.699 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -98.62 107.13 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.683 178.103 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 tp -102.26 119.61 39.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.81 142.14 38.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.849 0.357 . . . . 0.0 111.297 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.99 121.05 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 170.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.3 mmpt? -85.63 -63.34 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.749 -177.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -171.92 159.31 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.367 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -87.04 147.28 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t -58.28 -179.61 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.123 0.487 . . . . 0.0 111.241 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -62.32 -19.22 63.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 109.315 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.41 138.1 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.069 169.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.73 -6.95 1.96 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.566 0.346 . . . . 0.0 111.817 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -54.52 -32.81 58.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 61.4 m-85 -122.32 142.08 50.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.014 0.435 . . . . 0.0 111.282 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.44 136.0 54.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.302 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m -106.6 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.014 0.435 . . . . 0.0 111.294 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -105.48 165.67 10.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.716 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.27 129.66 31.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.011 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 89.0 t -119.0 118.82 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.81 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 17.8 m -118.31 106.96 13.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 ptp -127.16 158.65 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 110.684 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -79.39 108.77 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.875 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 m -88.73 130.07 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.12 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 t -60.96 -47.49 86.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.212 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -155.94 -178.51 7.35 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.442 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.61 -31.48 70.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.615 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.3 t -71.21 -46.62 60.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.786 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 75' ' ' ILE . 38.1 tt0 -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.901 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.56 -46.16 73.61 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.342 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -63.43 -39.18 93.79 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.78 -50.76 67.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.904 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' SD ' ' A' ' 64' ' ' MET . 73.9 mt -56.31 -41.42 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.22 -43.71 71.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.506 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -68.95 -41.64 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 36' ' ' LEU . 34.6 mmtp -58.48 -43.69 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.6 mt -62.82 -29.72 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.606 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.45 ' HA ' HG11 ' A' ' 85' ' ' VAL . 43.4 p -85.29 9.8 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.097 -0.377 . . . . 0.0 111.76 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -99.22 11.96 37.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.3 mt -77.08 -24.6 51.85 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 71.92 -42.32 0.53 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.84 0.856 . . . . 0.0 111.085 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HD3' HG21 ' A' ' 27' ' ' THR . 16.2 ptpt -71.27 -5.88 35.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.2 p -91.66 139.55 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.408 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.21 -23.78 4.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.401 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -151.34 136.74 17.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -129.35 129.47 44.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.9 mm? . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.0 Cg_exo -79.79 154.78 88.02 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.469 -1.055 . . . . 0.0 112.488 -0.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.8 t -163.07 161.31 25.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.25 122.39 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.618 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.0 t-105 -117.46 145.54 44.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -91.38 131.59 36.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.115 0.483 . . . . 0.0 111.239 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 91.2 m-85 -121.77 114.81 21.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.615 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.845 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.3 tpp85 -85.86 112.38 21.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.7 t -113.23 110.92 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.418 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -101.94 112.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 70.6 mtm -121.53 162.88 19.78 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.388 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -93.89 13.46 22.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.888 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 ' HD3' ' A' ' 84' ' ' LYS . 13.1 t -130.34 161.9 30.26 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -95.51 -15.32 22.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.725 172.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.82 80.96 7.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.276 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -79.25 100.11 7.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.576 0.703 . . . . 0.0 109.188 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 9.3 p -122.93 -73.6 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.452 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -49.26 -36.02 19.27 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.8 tp -57.36 -46.9 82.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.827 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 37' ' ' LEU . 54.6 mtmt -75.8 -33.83 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.815 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 31' ' ' SER . 42.4 mt-10 -58.6 -43.4 89.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -68.01 -31.36 70.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.308 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 34' ' ' LYS . 67.3 mt -65.66 -40.97 93.01 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.245 0.545 . . . . 0.0 109.679 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 45.9 mt-10 -65.43 -31.19 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.547 -177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -64.66 -21.44 66.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 111.271 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 93.6 m-85 -83.38 -9.78 58.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.569 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 62.18 24.36 14.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.266 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.6 ptp180 -119.7 147.12 43.16 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.181 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.41 162.98 38.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.602 2.201 . . . . 0.0 112.576 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -155.29 172.49 18.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.99 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.611 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 5.1 ttpm? -127.33 112.32 14.9 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.52 124.79 34.35 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 44.3 mt-10 -125.65 143.8 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 111.684 -178.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -110.72 107.91 17.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.7 -60.85 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.466 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -167.37 163.77 15.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.682 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.512 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 13.7 t -98.65 136.21 39.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' ASN . 30.9 t -72.79 83.99 1.2 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.395 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 47.26 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 112.885 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 52' ' ' SER . 65.9 m-20 -77.23 6.25 7.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 63.73 19.87 11.94 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -76.78 -35.84 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.246 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -121.69 148.67 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.855 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.42 125.71 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.9 p -94.42 112.41 24.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.874 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.54 158.7 16.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 8.9 t30 -138.4 132.01 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.63 118.54 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.097 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 78.6 p -105.58 106.87 17.56 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.493 ' SD ' HD13 ' A' ' 75' ' ' ILE . 26.5 ptm -129.11 160.17 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.248 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.4 136.76 47.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.0 126.79 73.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 21.0 t -84.07 -23.39 30.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.174 0.511 . . . . 0.0 109.891 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.63 178.33 10.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.896 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 23.2 tt0 -85.95 -17.8 34.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.535 -175.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -63.4 -40.75 98.06 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -67.17 -37.23 83.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.913 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 76.3 ttt180 -54.58 -34.21 61.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 87.7 m-20 -85.19 -42.47 14.68 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.699 177.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.0 tt0 -58.34 -50.12 74.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.056 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.5 mt -58.94 -40.06 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.69 -42.06 78.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 52.0 mt-30 -68.66 -36.96 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.372 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 74.8 mmtt -59.01 -41.9 88.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.158 0.504 . . . . 0.0 109.815 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.5 mt -60.88 -28.99 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.929 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -75.78 -19.39 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 95.7 mt-30 -84.04 0.58 47.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -75.42 -22.22 57.56 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.46 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t70 72.55 -31.18 0.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.277 0.631 . . . . 0.0 111.712 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -88.86 4.2 48.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.416 0.686 . . . . 0.0 111.336 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 11.3 p -92.23 137.65 21.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.444 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -112.31 -15.33 10.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 59.0 tp60 -156.09 131.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.475 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 79' ' ' ILE . 47.6 p -121.89 122.68 39.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.829 -177.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 2.9 Cg_endo -81.78 145.56 64.0 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 124.261 -1.141 . . . . 0.0 112.614 0.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 43.3 t -154.11 169.07 24.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -79.65 141.36 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.946 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -129.76 139.18 51.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.69 129.27 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.228 0.33 . . . . 0.0 110.398 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 76.0 m-85 -117.04 114.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.839 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.4 tpp180 -79.42 109.1 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 25' ' ' MET . 49.0 t -111.66 111.7 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.728 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.38 109.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.296 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.463 ' HG3' HG12 ' A' ' 23' ' ' VAL . 84.2 mtp -120.23 159.03 25.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -97.19 16.58 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.676 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 t -136.87 132.57 34.74 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.9 mtmp? -72.36 -19.99 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.664 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -99.75 83.67 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.243 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -90.04 125.96 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.26 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 -53.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.406 ' HB ' HD22 ' A' ' 82' ' ' LEU . 8.8 m -52.25 -33.86 43.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.54 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 66.5 tp -59.28 -45.0 92.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.344 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 37' ' ' LEU . 57.6 mtmt -74.92 -31.51 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -61.76 -47.0 87.19 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.103 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.5 pp -66.02 -30.67 71.26 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.89 0.376 . . . . 0.0 110.396 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' ' 64' ' ' MET . 75.5 mt -70.49 -37.31 74.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.243 0.544 . . . . 0.0 109.749 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.33 -30.83 71.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.472 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.1 p -69.03 -17.72 63.94 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -77.86 -14.58 59.52 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 59.23 24.82 13.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.335 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 65' ' ' GLU . 11.0 ptp180 -113.82 152.4 45.56 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.68 148.46 77.8 Favored 'Trans proline' 0 C--O 1.237 0.471 0 C-N-CA 122.298 1.999 . . . . 0.0 112.163 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -155.31 151.08 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 34.2 ttpt -104.19 120.83 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.863 178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -102.21 109.95 21.77 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' ' 61' ' ' ASN . 13.2 pt-20 -123.61 128.69 50.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.414 . . . . 0.0 111.005 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -83.45 110.75 18.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.485 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 8.9 mmpt? -64.38 -67.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.145 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -178.89 164.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.802 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -99.37 146.34 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -50.98 153.89 1.68 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -63.85 -30.4 71.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.039 0.447 . . . . 0.0 110.369 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -84.68 0.43 50.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.76 22.99 12.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.812 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -82.01 -43.91 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CD1' HG21 ' A' ' 86' ' ' VAL . 36.2 m-85 -118.44 139.9 50.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.653 -177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -107.92 117.68 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -93.37 112.44 24.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.351 -174.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.57 166.19 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.171 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t30 -141.33 126.31 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.383 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 84.2 t -101.59 119.93 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.7 m -112.96 106.19 14.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.63 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.7 ptm -134.58 161.19 35.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.588 0.232 . . . . 0.0 110.898 -175.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' HH11 ' A' ' 42' ' ' ARG . 36.6 mt-10 -74.97 138.55 42.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.057 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.3 126.95 68.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.59 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 27.8 t -88.51 -30.87 19.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.335 0.588 . . . . 0.0 109.602 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.0 p30 -139.45 178.36 7.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.556 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.84 -24.71 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.459 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.493 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 24.4 t -59.64 -37.76 79.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.76 -46.37 82.42 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.833 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -54.0 -37.26 63.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -74.2 -47.75 33.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.02 -49.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.364 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.63 HD13 ' SD ' ' A' ' 64' ' ' MET . 70.3 mt -56.15 -43.41 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -55.33 -40.41 71.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.412 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -71.07 -42.25 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.492 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.539 ' HB3' HD22 ' A' ' 36' ' ' LEU . 71.2 mmtt -55.37 -43.89 75.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.584 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.4 mt -59.33 -29.27 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.44 ' HA ' HG11 ' A' ' 85' ' ' VAL . 42.1 t -73.95 -29.81 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.966 0.412 . . . . 0.0 110.699 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -70.14 3.7 2.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.329 -172.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 12.1 mt -83.28 -26.29 30.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.513 -0.117 . . . . 0.0 110.746 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.7 t70 71.92 -35.18 0.32 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.771 0.67 . . . . 0.0 111.391 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 20.2 mttp -69.7 -10.17 57.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.432 0.693 . . . . 0.0 111.604 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.4 p -89.73 132.31 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.457 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 57' ' ' PHE . 32.6 m -99.99 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -161.22 142.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.863 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 t -141.82 140.37 32.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.819 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 72.2 Cg_endo -81.06 158.15 83.83 Favored 'Cis proline' 0 C--N 1.353 0.789 0 C-N-CA 123.661 -1.391 . . . . 0.0 112.81 -3.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -164.69 170.68 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.212 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -79.46 108.79 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -95.14 147.31 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.83 119.63 35.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -172.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -108.06 130.87 55.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.842 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.6 tpp180 -94.66 109.67 21.58 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -107.18 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.649 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -95.13 115.42 33.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.1 mtp -120.19 156.28 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.349 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 p -93.36 27.05 2.69 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.313 0.578 . . . . 0.0 110.745 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -155.75 157.83 37.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.206 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 56.0 mtmt -102.62 7.56 39.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 109.878 174.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -84.05 87.97 7.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.309 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -105.63 101.3 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.802 0.81 . . . . 0.0 110.85 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 47.5 t -138.34 -54.35 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.707 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -48.29 -36.58 14.44 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.938 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 82' ' ' LEU . 53.7 tp -61.44 -45.48 94.12 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.952 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 53.6 mtmt -72.17 -38.33 69.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -177.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 31' ' ' SER . 25.5 mm-40 -52.53 -50.84 62.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.145 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.81 -31.43 72.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.721 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 ' SD ' ' A' ' 64' ' ' MET . 82.4 mt -68.15 -39.35 82.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.143 0.497 . . . . 0.0 110.302 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.6 mt-10 -72.23 -20.13 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.821 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 p -61.3 -27.02 68.18 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.092 0.472 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 78.4 m-85 -78.97 -9.43 59.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.948 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 61.35 17.37 8.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.938 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 9.8 ptp180 -107.37 150.53 40.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.905 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.11 159.47 53.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.608 2.206 . . . . 0.0 112.356 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.31 151.34 24.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.258 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -111.44 112.92 25.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -105.02 124.99 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.135 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -141.9 143.34 33.25 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.264 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -88.38 109.97 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 30.7 mmtp -72.7 -66.18 0.7 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.716 -175.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -166.33 142.15 4.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.688 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -95.63 132.64 40.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -57.63 157.29 7.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -57.36 -30.34 64.77 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -68.26 -19.24 64.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.977 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.35 13.88 9.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.247 0.619 . . . . 0.0 111.341 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -93.24 -28.75 16.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.344 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.99 107.32 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -98.37 118.87 36.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.675 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -95.12 115.97 28.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.976 0.417 . . . . 0.0 111.526 -176.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.42 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 97.8 m-85 -103.99 164.41 11.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.44 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.596 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 t30 -132.49 125.75 31.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.134 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.66 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -118.27 107.53 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.541 ' SD ' HD22 ' A' ' 37' ' ' LEU . 18.7 ptm -135.76 151.04 49.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 -172.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.603 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.5 mt-10 -73.95 116.27 14.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.464 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.1 m -97.85 126.75 50.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.55 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 16.9 m -64.63 -40.13 94.92 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 35.0 p-10 -163.35 -175.26 4.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.675 -176.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.39 -44.29 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.73 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -53.1 -51.62 61.3 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.213 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 68' ' ' ASN . 18.2 mm-40 -59.03 -44.32 91.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.516 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -30.54 69.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.403 -174.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -88.67 -43.03 11.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.44 -52.72 64.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.188 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.7 mt -55.97 -40.79 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.661 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.09 -49.68 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.12 -35.66 75.74 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.925 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -70.25 -37.96 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.813 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 70.2 mt -64.72 -29.98 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.565 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.8 p -85.15 8.66 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -92.63 -2.37 56.15 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -66.19 -24.84 66.7 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.286 -174.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.0 t70 73.71 -37.18 0.36 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.64 0.588 . . . . 0.0 110.705 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 82' ' ' LEU . 72.0 mttt -70.78 -21.22 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.971 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.8 p -78.11 135.53 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.356 -178.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.1 p -106.63 -25.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 -176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -158.81 123.56 4.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.792 0.33 . . . . 0.0 110.961 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 p -110.36 127.83 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--O 1.234 0.238 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.638 0.256 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.72 175.56 49.61 Favored Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -142.49 150.87 41.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.015 0.408 . . . . 0.0 110.601 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.7 mtt -71.27 156.87 91.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -62.1 -178.5 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.436 2.091 . . . . 0.0 111.902 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -95.5 11.92 31.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -80.91 147.47 30.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m 63.58 28.14 15.11 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.174 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 1.8 tpmt? -64.57 126.3 27.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.731 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.85 122.97 77.93 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 173.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.21 152.29 76.15 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.665 2.243 . . . . 0.0 112.579 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m -71.04 123.82 22.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.812 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -104.2 133.69 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mm -88.98 105.89 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 111.198 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -101.66 145.04 29.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 4.3 Cg_exo -78.27 156.86 93.9 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 124.272 -1.137 . . . . 0.0 112.318 -0.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.7 t -166.3 159.22 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.253 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.03 124.28 23.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.015 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -111.64 143.75 42.01 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -106.68 127.08 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.9 135.66 54.46 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.833 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.9 tpp180 -102.84 118.59 37.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.427 HG12 ' HG3' ' A' ' 25' ' ' MET . 29.8 t -119.46 108.94 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 -175.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.94 110.04 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' HG12 ' A' ' 23' ' ' VAL . 68.0 mtm -119.83 157.68 28.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.781 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -93.56 19.66 8.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.689 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 84' ' ' LYS . 14.6 t -135.41 146.98 48.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.222 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -90.91 -11.67 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 171.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -85.98 79.01 9.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.456 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.425 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -89.0 100.82 13.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.555 0.693 . . . . 0.0 110.496 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -110.89 -67.99 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.713 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 m -46.6 -38.57 9.75 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.111 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 82' ' ' LEU . 61.1 tp -59.89 -48.36 82.01 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.838 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 51.0 mtmt -74.88 -35.49 62.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 110.254 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -55.35 -50.97 68.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -60.68 -31.12 70.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.105 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 ' SD ' ' A' ' 64' ' ' MET . 60.5 mt -74.83 -44.78 47.38 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.181 0.515 . . . . 0.0 110.497 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 53.5 mt-10 -63.62 -26.16 68.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.114 -174.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.3 p -61.63 -26.02 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -75.77 -8.74 57.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.806 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.99 12.68 6.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.448 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -105.05 156.32 36.28 Favored Pre-proline 0 C--O 1.236 0.375 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.41 162.89 40.9 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.3 2.0 . . . . 0.0 111.849 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.09 153.44 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.99 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -99.35 123.45 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.764 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.7 119.24 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 62.9 mm-40 -128.25 155.23 44.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 0.0 111.295 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -118.64 116.97 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -85.53 -60.53 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.552 0.215 . . . . 0.0 111.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -167.57 167.72 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.27 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -131.42 147.94 52.61 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -56.75 165.12 1.27 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -65.45 -17.91 64.91 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -173.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -101.0 5.09 42.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.307 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.05 26.37 13.49 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.292 0.568 . . . . 0.0 110.586 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -87.43 -40.33 14.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.532 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CD1' HG21 ' A' ' 86' ' ' VAL . 61.2 m-85 -113.76 122.52 47.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.877 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -105.1 118.46 36.6 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -87.07 111.98 21.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.309 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.76 148.55 26.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.274 0.559 . . . . 0.0 110.332 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -116.86 122.05 43.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.64 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -118.42 136.26 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.85 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -139.6 121.07 15.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.6 ptm -141.91 155.67 45.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.663 0.268 . . . . 0.0 110.769 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.07 120.07 20.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.12 128.24 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 29.7 t -87.51 -18.73 29.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.689 0.28 . . . . 0.0 110.865 -176.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.51 178.7 9.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 0.0 110.725 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.64 -28.91 51.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.781 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.4 t -63.04 -47.09 84.5 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 52.9 mt-10 -56.94 -46.48 82.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.987 0.422 . . . . 0.0 110.183 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.24 -34.82 61.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 41.2 m-80 -83.81 -48.41 10.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.439 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 11.6 pt-20 -60.25 -43.62 95.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 -174.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.566 HD13 ' SD ' ' A' ' 64' ' ' MET . 71.6 mt -60.01 -43.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.57 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.1 mt-30 -72.33 -35.04 68.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.026 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 79.2 mttt -67.59 -33.69 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.257 0.551 . . . . 0.0 109.69 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 72.3 mt -62.14 -29.79 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.139 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -87.1 -4.81 59.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.028 -0.42 . . . . 0.0 111.332 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 88.7 mt-30 -93.44 3.46 55.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.12 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 18.9 mt -71.14 -34.58 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.649 0.262 . . . . 0.0 110.485 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 27.2 t70 77.33 -36.64 0.24 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.786 0.834 . . . . 0.0 111.066 -175.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HG2' HG21 ' A' ' 27' ' ' THR . 3.0 mptp? -62.07 -25.86 67.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.615 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 p -76.69 131.6 34.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 57' ' ' PHE . 34.3 m -102.7 -19.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -156.57 118.67 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.584 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.407 HG22 HG22 ' A' ' 79' ' ' ILE . 60.0 p -98.31 133.23 43.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.8 mm? -115.13 104.71 12.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.37 60.34 0.34 Allowed Glycine 0 C--O 1.237 0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.929 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.785 -0.626 . . . . 0.0 109.898 178.335 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.35 118.79 5.07 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.247 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -69.18 140.04 54.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.6 mpp? -64.11 151.55 89.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.08 155.03 71.09 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.547 2.165 . . . . 0.0 111.504 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.426 ' OG ' ' NZ ' ' A' ' 10' ' ' LYS . 25.6 p -164.99 161.61 20.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -73.97 -38.32 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.6 t -69.68 116.51 10.16 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.659 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -78.82 132.78 36.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 9.1 mptt -71.74 145.33 89.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.323 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.31 130.14 38.52 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.553 2.169 . . . . 0.0 111.55 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.6 m -62.69 111.56 2.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.88 140.81 15.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.613 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.54 132.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.238 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -125.27 139.72 34.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.17 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -85.34 145.34 39.74 Favored 'Cis proline' 0 C--N 1.349 0.598 0 C-N-CA 124.136 -1.193 . . . . 0.0 112.354 -1.481 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -150.12 163.64 37.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.895 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.88 103.3 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 37.7 t-105 -88.53 143.8 26.74 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -107.64 132.94 52.77 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.203 0.525 . . . . 0.0 111.564 -174.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 82.7 m-85 -122.14 131.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.424 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.837 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.5 tpt180 -93.06 110.31 21.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.8 t -111.29 118.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.7 mt -110.27 109.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.472 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 39.7 mtm -117.07 149.36 40.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.301 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -86.72 42.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.594 HG21 ' HE3' ' A' ' 84' ' ' LYS . 10.1 t -162.51 158.24 23.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.311 -176.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -104.32 -2.48 25.48 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 171.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.94 79.94 7.52 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.578 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -86.88 101.63 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 17.9 m -130.58 -62.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.386 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.1 m -59.96 -34.94 73.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.5 tp -54.72 -48.36 72.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.698 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HE2' ' O ' ' A' ' 30' ' ' THR . 50.6 mtmt -70.05 -36.33 74.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.81 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 31' ' ' SER . 23.5 mm-40 -54.51 -49.46 70.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.108 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.5 pp -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.071 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD22 ' SD ' ' A' ' 64' ' ' MET . 87.7 mt -70.89 -34.03 71.16 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.012 0.434 . . . . 0.0 110.293 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.34 -26.41 60.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.936 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.5 p -61.93 -15.95 47.13 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.753 0.311 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 97.3 m-85 -92.39 -14.15 29.06 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.263 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.01 33.22 22.96 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.604 0.361 . . . . 0.0 111.583 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.522 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.7 ptp180 -124.03 150.56 63.34 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.85 147.83 75.6 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.301 2.001 . . . . 0.0 112.319 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -144.43 146.35 32.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.816 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -101.44 104.19 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.9 122.86 42.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.92 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -145.0 156.16 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.29 0.369 . . . . 0.0 110.721 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -94.55 116.54 28.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.966 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 61' ' ' ASN . 72.9 mmtt -69.3 -81.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -157.65 176.58 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.257 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 13.2 t -132.69 146.06 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 33.1 m -64.96 175.67 1.46 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.7 -50.25 73.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -85.94 8.1 21.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.624 0.249 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.85 19.95 8.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.234 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 72.2 m-85 -113.01 125.36 54.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.039 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -113.37 121.12 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.625 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -92.27 121.2 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -108.99 162.42 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.49 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 2.3 t30 -114.76 122.46 46.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.563 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.08 118.21 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 174.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 16.5 m -129.72 108.16 9.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.549 ' SD ' HD13 ' A' ' 75' ' ' ILE . 22.5 ptm -136.74 150.65 48.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.626 0.25 . . . . 0.0 110.8 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 126.32 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.12 131.07 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 13.5 m -75.31 -30.19 60.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.32 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -170.95 -178.46 2.5 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.924 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 73' ' ' ASN . 37.6 tt0 -61.61 -30.66 70.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.057 -174.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 m -57.21 -38.99 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.805 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.43 -31.18 57.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.292 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.599 HH21 ' HB2' ' A' ' 91' ' ' SER . 2.5 tmt_? -56.92 -42.51 80.13 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 43.6 m-80 -70.68 -45.92 64.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 39.8 tt0 -61.25 -55.85 27.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' SD ' ' A' ' 64' ' ' MET . 76.3 mt -58.1 -41.35 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.501 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -53.62 -45.09 69.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.409 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.25 -39.19 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.6 mmtp -59.42 -43.21 93.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 78.2 mt -62.01 -29.71 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.68 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -79.21 -11.92 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.347 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -80.84 -5.71 57.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.413 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -72.37 -37.49 68.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.115 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 72.95 -33.2 0.26 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.832 0.853 . . . . 0.0 111.365 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.594 ' HE3' HG21 ' A' ' 27' ' ' THR . 15.8 mtpp -59.87 -21.55 61.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.359 0.6 . . . . 0.0 109.681 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -84.01 129.39 37.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.739 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.17 -15.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.246 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' HD11 ' A' ' 89' ' ' LEU . 6.6 tp-100 -151.86 128.04 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 p -119.21 115.79 24.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.594 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp -110.92 113.86 26.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 176.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.49 4.59 64.27 Favored Glycine 0 C--N 1.331 0.252 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.599 ' HB2' HH21 ' A' ' 72' ' ' ARG . 17.1 t . . . . . 0 C--O 1.249 1.068 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.04 131.64 2.4 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.94 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -138.46 155.18 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.0 mtm -125.86 155.25 73.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.004 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.5 99.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.436 2.091 . . . . 0.0 111.558 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -64.48 -23.45 67.28 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.306 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.78 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.732 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.5 t -65.62 134.31 53.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -94.73 134.92 36.82 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.3 mtpt -59.81 130.88 88.73 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 47.7 Cg_exo -55.81 125.61 19.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.875 2.383 . . . . 0.0 112.519 -176.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -75.67 111.11 10.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.165 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.02 110.17 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -90.42 132.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -113.14 151.37 44.16 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.06 150.35 73.34 Favored 'Cis proline' 0 C--N 1.353 0.813 0 C-N-CA 124.635 -0.986 . . . . 0.0 112.485 0.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 p -155.94 160.79 40.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.09 103.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -94.53 147.43 23.27 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.79 119.36 38.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 96.9 m-85 -105.0 147.49 27.75 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.89 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.1 tpp85 -125.86 113.96 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -115.64 110.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 70.9 mt -100.88 108.04 22.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 65.1 mtm -111.07 176.78 4.89 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -106.47 12.7 29.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.88 0.371 . . . . 0.0 111.434 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -141.8 158.86 43.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.427 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.5 -6.37 58.92 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.13 82.54 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.294 0.569 . . . . 0.0 109.903 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -95.04 100.08 11.97 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.567 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 22.9 t -146.47 -53.59 0.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.366 -175.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.8 m -59.9 -31.15 69.54 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.764 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.7 -44.61 93.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.253 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 50.9 mtmt -70.58 -33.81 71.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.411 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -50.88 -48.62 60.24 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -69.84 -30.43 67.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.9 mt -72.56 -39.03 67.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-10 -67.75 -22.48 65.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.723 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -61.45 -30.12 70.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 110.527 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -79.96 -22.2 42.89 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.24 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 58.27 21.44 8.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.233 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 6.1 ptp180 -97.74 155.52 37.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.27 138.71 62.29 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.395 2.063 . . . . 0.0 112.259 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -148.91 151.94 35.53 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' ' OG ' ' A' ' 63' ' ' SER . 37.6 ttpt -105.26 117.68 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.353 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.86 112.41 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -129.83 156.25 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -173.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 91.3 t80 -124.77 114.49 19.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.223 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.2 mmpt? -83.96 -64.9 1.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -158.91 158.3 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.568 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.428 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 6.8 t -121.96 145.56 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.4 t -55.86 159.07 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.505 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 2.5 mmmp? -56.89 -32.31 65.75 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.009 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -85.27 -8.03 58.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.816 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.58 18.58 8.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.132 -176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -87.26 -33.71 19.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -113.39 135.92 53.34 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -121.9 125.47 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.954 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -91.32 112.45 24.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.114 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 86.2 m-85 -104.48 156.42 17.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.874 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -131.44 129.21 40.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.1 -175.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.563 ' N ' HD22 ' A' ' 61' ' ' ASN . 96.5 t -129.95 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.195 177.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.493 ' OG ' ' HE2' ' A' ' 45' ' ' LYS . 20.5 p -111.95 122.12 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.422 ' SD ' HD22 ' A' ' 37' ' ' LEU . 22.1 ptm -143.93 146.52 33.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.394 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.7 mt-10 -73.0 107.88 5.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.495 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -90.02 127.87 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.347 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.3 t -61.35 -35.64 78.0 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -161.22 -173.77 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 44.7 tt0 -72.35 -38.38 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.077 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -59.62 -32.82 70.78 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.245 -0.284 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.31 -56.36 19.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 9.3 ptm180 -63.35 -14.42 49.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.846 -173.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.12 -41.32 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.714 0.292 . . . . 0.0 110.569 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 10.3 pt-20 -69.11 -45.74 69.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.929 0.395 . . . . 0.0 110.165 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 mt -60.67 -40.04 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.87 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -54.66 -39.42 68.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.761 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -73.1 -39.7 65.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.574 ' HB2' HD13 ' A' ' 36' ' ' LEU . 78.5 mttt -63.78 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.086 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 81.4 mt -63.65 -29.83 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.361 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG11 ' A' ' 85' ' ' VAL . 51.5 p -85.9 8.7 19.24 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.876 -0.515 . . . . 0.0 111.595 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -90.69 1.48 56.79 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.323 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.4 mt -76.92 -23.43 52.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.5 0.191 . . . . 0.0 110.534 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 t70 73.42 -40.09 0.46 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.942 0.776 . . . . 0.0 111.184 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -75.09 -6.87 51.81 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.136 0.575 . . . . 0.0 111.603 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.5 p -89.37 132.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.02 -28.05 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.46 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 53.9 tp60 -142.16 118.77 11.01 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.027 0.442 . . . . 0.0 110.902 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 79' ' ' ILE . 32.1 p -104.96 126.8 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.474 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.87 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp -122.48 123.13 40.57 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.69 18.72 16.92 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.252 1.221 0 C-N-CA 123.514 0.726 . . . . 0.0 110.355 -176.821 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.893 0.378 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.87 -179.3 22.86 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -141.28 120.16 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.716 0.258 . . . . 0.0 110.329 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.432 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 69.2 mtm -56.16 142.03 67.61 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 22.7 Cg_exo -65.04 147.37 88.81 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.047 2.498 . . . . 0.0 112.826 -176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' A' ' 9' ' ' LYS . 32.6 t -75.39 96.72 3.47 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.369 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.15 -45.33 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.451 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -73.4 -49.32 27.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.342 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 6' ' ' SER . 31.1 mmmt -63.98 101.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.436 -178.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.65 148.18 94.92 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 178.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -62.47 123.91 13.26 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.371 2.047 . . . . 0.0 111.131 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 m -98.82 111.25 23.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.064 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mm -93.31 142.13 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.721 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -92.7 110.07 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' SER . 73.2 m-85 -95.81 148.54 34.72 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.99 -178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.95 160.22 95.09 Favored 'Cis proline' 0 C--N 1.351 0.696 0 C-N-CA 124.345 -1.106 . . . . 0.0 111.991 -0.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.8 t -163.59 160.8 23.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.458 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -75.52 110.68 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -93.57 141.48 28.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.37 132.75 50.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.536 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -124.32 142.94 50.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.546 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 2.4 tpp180 -110.68 111.24 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 25' ' ' MET . 41.4 t -104.89 106.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.434 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.2 mt -96.9 108.08 20.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.001 0.429 . . . . 0.0 110.237 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' HG12 ' A' ' 23' ' ' VAL . 77.9 mtp -116.57 145.4 43.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.882 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 16.9 p -82.44 -5.97 59.01 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -112.99 155.63 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -97.67 1.29 48.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.49 84.02 4.66 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 t -89.53 99.59 12.56 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.695 0.76 . . . . 0.0 109.338 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 p -137.65 -63.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.457 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -31.61 37.54 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.501 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.08 -40.32 97.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -69.24 -42.07 76.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.898 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.05 -51.54 52.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.369 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 HD21 ' A' ' 82' ' ' LEU . 3.3 pp -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.635 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.76 -40.83 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.316 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.39 -19.2 63.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.084 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -62.78 -25.53 68.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 43.9 m-85 -81.69 -4.28 55.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.662 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.45 29.86 18.88 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.259 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 10.3 ptp180 -127.71 155.88 76.5 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.561 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.41 156.39 64.38 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.473 2.115 . . . . 0.0 112.037 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.51 153.5 34.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 37.7 ttpt -107.23 106.92 17.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -108.9 106.59 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 63.1 mm-40 -119.52 154.99 32.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.147 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -96.79 117.56 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 70.2 mmtt -76.85 -80.11 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.15 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -146.92 178.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.2 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.426 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 10.2 t -141.45 145.61 35.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.901 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -70.28 173.21 7.03 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -52.56 -53.41 46.76 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.218 0.607 . . . . 0.0 111.906 -175.547 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -91.74 13.88 16.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.114 0.483 . . . . 0.0 110.006 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.06 7.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.16 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 26' ' ' THR . 24.6 ttmm -65.33 -34.9 79.41 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -118.63 111.27 18.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.739 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -93.0 119.04 31.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.0 m -92.42 112.48 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.381 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -104.78 154.97 19.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.41 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.6 t30 -121.28 122.59 40.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.42 119.06 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 7.8 m -121.22 112.76 19.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.525 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.0 ptm -136.18 161.67 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 111.03 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -75.9 122.45 24.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.747 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 m -108.0 134.72 48.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 37.1 t -72.6 -51.89 17.78 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.04 -161.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.242 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 31.3 tt0 -71.46 -20.52 62.08 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.674 0.273 . . . . 0.0 111.652 -174.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -62.9 -42.85 99.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.962 0.411 . . . . 0.0 110.66 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 20.2 mp0 -64.19 -48.59 75.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -60.02 -15.46 22.83 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -174.635 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -93.76 -45.4 7.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.854 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 8.2 pt-20 -64.6 -43.78 92.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.933 0.396 . . . . 0.0 110.421 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.525 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.5 mt -63.36 -36.23 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.287 -178.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.0 -36.73 73.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.035 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.32 -39.2 54.71 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.852 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.9 mmtp -55.21 -41.38 71.96 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.214 0.53 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.6 mt -61.33 -29.26 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.17 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -78.61 -20.36 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -70.53 -5.98 32.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.715 -175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.9 mt -80.85 -21.43 40.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.99 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.2 t70 71.93 -38.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.226 0.61 . . . . 0.0 111.309 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 82' ' ' LEU . 82.5 mttt -61.1 -28.79 69.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.635 0.774 . . . . 0.0 112.037 -178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.0 p -78.1 135.88 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.664 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.19 -30.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.795 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.552 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.8 tt0 -138.42 115.18 10.69 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -102.34 123.01 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.515 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.734 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.1 mp -115.51 116.83 28.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.27 67.42 0.32 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.415 -177.892 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.62 -118.67 15.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.049 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -84.85 146.32 27.37 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 83.0 mtp -63.06 115.55 18.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.793 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.557 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 56.1 Cg_endo -69.53 93.55 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.396 2.064 . . . . 0.0 111.657 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -61.13 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.275 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.17 19.69 10.27 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.303 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 5' ' ' PRO . 24.1 t -113.82 148.88 35.83 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 40.5 ttmt 59.06 41.36 20.85 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.362 0.601 . . . . 0.0 109.68 -175.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 74.36 127.21 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.661 -175.487 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.83 166.6 11.77 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.583 2.189 . . . . 0.0 111.136 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -65.54 109.25 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -101.66 119.93 50.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.0 mm -96.2 118.55 42.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -101.69 146.94 33.12 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.488 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -77.88 167.7 77.93 Favored 'Cis proline' 0 C--N 1.352 0.724 0 C-N-CA 124.178 -1.176 . . . . 0.0 112.421 0.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 t -161.82 153.35 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.487 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.46 102.62 3.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.197 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -92.37 132.46 36.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.07 137.34 37.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.07 0.462 . . . . 0.0 110.972 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -125.7 115.61 20.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 7.4 tpp180 -79.15 109.7 13.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.94 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.65 111.44 29.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.13 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' HD12 ' A' ' 82' ' ' LEU . 52.7 mtm -121.86 160.64 24.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.341 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -94.45 29.05 2.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.724 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 84' ' ' LYS . 12.3 t -149.9 143.51 25.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.848 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -88.56 -11.7 44.87 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.18 79.42 6.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.907 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -90.15 107.5 19.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 31.4 p -124.76 -66.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.575 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -53.02 -33.33 51.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.074 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.3 tp -58.88 -43.21 90.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.473 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -75.48 -41.76 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.244 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 31' ' ' SER . 69.2 mm-40 -56.36 -47.53 78.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.054 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pp -62.73 -32.1 73.16 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.357 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD22 ' SD ' ' A' ' 64' ' ' MET . 85.4 mt -69.0 -40.78 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 109.993 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.43 -19.87 63.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.88 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 35' ' ' GLU . 36.1 p -64.26 -18.12 64.26 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.703 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -92.05 -7.3 49.16 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.007 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 65.32 -3.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.895 0.878 . . . . 0.0 112.715 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -88.44 152.3 49.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.67 160.07 51.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 112.774 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.59 160.3 42.39 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.074 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -117.44 111.43 19.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.333 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.43 118.32 26.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.817 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 18.3 mm-40 -120.42 124.01 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -102.6 108.12 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -86.26 -67.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.966 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -149.27 142.32 24.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 111.491 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -100.65 145.56 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 44.0 m -56.88 158.04 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.61 0.243 . . . . 0.0 111.182 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -54.97 -39.46 68.99 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.462 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -99.46 15.71 25.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.065 0.459 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.46 17.91 8.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.451 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.57 -49.62 62.3 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.711 0.291 . . . . 0.0 111.059 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 70.3 m-85 -112.78 151.84 29.86 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.078 0.466 . . . . 0.0 110.243 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.34 116.96 22.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -90.37 112.28 23.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.233 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.7 165.42 11.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.118 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 4.0 t30 -142.77 122.31 13.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.282 177.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.19 119.36 56.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -115.55 110.83 19.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.719 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.2 ptm -143.04 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.324 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.21 139.15 41.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.462 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.92 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.5 t -82.28 -31.29 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.665 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.06 177.06 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 112.101 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -60.77 -45.46 94.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.711 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -57.87 -41.21 82.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.73 -52.43 57.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.498 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 72' ' ' ARG . 13.0 ptt180 -56.33 -34.93 67.04 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 -173.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.65 -37.8 26.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 24.4 tt0 -62.25 -47.12 85.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.317 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.0 mt -59.45 -40.81 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.373 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.96 -44.5 82.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.062 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.5 mt-30 -65.59 -42.98 91.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.54 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -55.56 -45.32 77.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.461 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.616 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.3 mt -62.37 -28.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.572 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.6 t -76.89 -17.31 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 97.0 mt-30 -85.71 -0.56 55.51 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.9 mt -73.99 -17.17 61.03 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.942 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 13.4 t70 74.38 -27.48 0.19 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.117 0.567 . . . . 0.0 111.693 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 27' ' ' THR . 31.5 mttm -89.42 -3.25 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.034 0.534 . . . . 0.0 111.741 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 80' ' ' SER . 10.1 p -89.98 147.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.38 -23.06 2.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.468 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -160.26 137.93 9.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.737 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 11.5 p -141.4 115.76 9.46 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.0 mp -104.5 116.38 32.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.88 37.53 0.57 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.079 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.619 -178.684 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.94 -118.36 2.28 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -65.22 126.76 29.17 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtp -104.22 107.74 58.25 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.012 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -58.29 -26.7 78.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.608 2.205 . . . . 0.0 111.512 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -114.28 90.56 3.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.791 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.27 150.71 45.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -97.14 128.18 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.088 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -127.02 175.54 8.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.721 -176.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.3 mmpt? -115.56 130.31 24.43 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.765 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.03 133.23 52.0 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.513 2.142 . . . . 0.0 111.945 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -78.36 111.24 14.15 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.904 0.383 . . . . 0.0 110.544 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mm -88.68 129.21 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.661 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.0 mp -78.81 133.05 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -132.11 129.68 21.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.498 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -76.08 155.82 98.61 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 124.15 -1.187 . . . . 0.0 112.947 -0.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 45.6 t -170.36 176.91 4.29 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.32 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 69.9 mt -86.26 134.3 33.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 110.747 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.0 t-105 -125.71 129.83 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.696 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 119.02 29.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.927 0.394 . . . . 0.0 111.444 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.6 m-85 -99.06 144.7 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.662 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.769 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.1 tpp85 -109.26 113.52 26.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 25' ' ' MET . 21.7 t -112.44 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.741 -174.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.85 105.54 17.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.171 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 71.6 mtp -107.24 170.42 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.138 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -101.09 12.2 38.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.15 0.5 . . . . 0.0 110.61 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.498 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.1 t -150.91 163.89 37.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.779 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 50.3 mtmt -99.21 4.27 46.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.967 0.413 . . . . 0.0 110.143 173.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -79.28 79.8 5.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.4 t -98.2 100.57 11.88 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.628 0.728 . . . . 0.0 109.74 177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 22.7 t -126.39 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.561 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.517 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.6 m -50.59 -36.27 34.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.7 tp -58.19 -43.23 87.43 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.839 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.2 mtmt -75.41 -37.92 60.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 31' ' ' SER . 67.1 mt-10 -61.55 -44.48 96.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.026 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.0 pp -61.95 -30.53 70.98 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 34' ' ' LYS . 56.9 mt -69.61 -43.09 73.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.023 0.439 . . . . 0.0 109.828 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.08 -31.43 70.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.646 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 p -59.41 -28.02 66.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.348 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.578 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 94.1 m-85 -80.37 -4.16 52.46 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.813 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 59.78 21.85 10.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.783 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -121.34 151.42 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.61 150.19 88.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.547 2.164 . . . . 0.0 112.485 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -138.18 163.08 32.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.419 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 3.6 tmmm? -118.65 114.46 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -103.4 107.02 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.64 132.29 55.04 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -96.39 117.15 30.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -75.33 -70.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.806 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -174.59 165.24 3.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -94.92 145.38 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.18 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -64.19 162.16 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 4.7 ttmp? -65.93 -31.28 72.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 110.508 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -74.67 -11.62 60.23 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 10.31 6.4 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.281 0.633 . . . . 0.0 112.195 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -87.81 -27.4 22.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.559 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -118.89 119.47 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.94 125.87 50.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.785 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t -95.28 118.97 32.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.943 0.401 . . . . 0.0 111.313 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 96.2 m-85 -111.66 155.38 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.945 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.432 HD22 ' HE3' ' A' ' 45' ' ' LYS . 11.9 t30 -133.59 121.73 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 72.3 t -122.94 119.52 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.803 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.585 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 80.0 p -114.38 133.69 55.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.539 ' SD ' HG21 ' A' ' 75' ' ' ILE . 24.8 ptm -142.6 164.74 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 52.0 mt-10 -70.63 115.61 9.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 m -98.29 126.25 51.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . 18.0 m -75.92 -36.83 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.076 0.465 . . . . 0.0 110.524 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.58 178.56 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.958 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 43.9 tt0 -58.13 -44.57 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.191 -174.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -57.4 -35.74 70.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.539 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 33.4 mm-40 -64.49 -50.45 67.39 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.665 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.7 ptt180 -59.9 -31.07 69.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.103 -176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.1 m-20 -66.28 -57.29 7.84 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.666 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 32.4 tt0 -55.25 -50.56 69.17 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.163 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' SD ' ' A' ' 64' ' ' MET . 78.8 mt -56.81 -43.08 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.48 -41.61 85.65 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.335 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 46.2 mt-30 -67.86 -39.38 83.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.47 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.3 mmtp -58.37 -41.79 85.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.312 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.7 mt -59.8 -30.83 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.222 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.1 p -80.75 -10.12 59.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.144 -0.347 . . . . 0.0 111.783 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -78.11 7.85 5.64 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -82.67 -26.18 32.34 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 72.37 -39.45 0.45 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.612 0.765 . . . . 0.0 111.353 -175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HD3' HG21 ' A' ' 27' ' ' THR . 13.3 ptpt -75.09 8.07 2.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.713 0.405 . . . . 0.0 111.252 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -109.24 131.83 58.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.7 m -99.13 -35.43 4.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -140.18 133.11 29.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.942 0.401 . . . . 0.0 110.809 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.7 p -123.18 116.32 23.22 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.982 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.769 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mp -107.08 144.94 33.03 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.63 -30.79 59.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.052 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.985 178.125 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.79 147.04 7.18 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.782 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -88.03 152.2 22.21 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.442 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 38.0 mtm -93.37 163.64 24.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 89.9 Cg_exo -43.82 -31.67 3.74 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.934 2.423 . . . . 0.0 112.936 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -136.18 105.08 5.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 110.802 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.54 19.39 19.11 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.286 174.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -62.52 142.51 57.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.442 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -87.24 149.35 24.64 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.783 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 65.6 mmtt -92.6 162.16 30.21 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.819 -177.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.93 107.61 2.39 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.639 2.226 . . . . 0.0 111.327 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -79.68 110.8 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.041 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -81.84 111.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -87.11 105.48 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.562 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -82.75 149.65 60.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.887 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.3 Cg_exo -78.18 157.82 93.85 Favored 'Cis proline' 0 C--N 1.353 0.796 0 C-N-CA 124.26 -1.142 . . . . 0.0 112.664 1.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -165.75 158.67 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.148 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -74.29 142.32 45.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.99 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -130.07 137.94 50.47 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.99 129.88 45.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.28 0.363 . . . . 0.0 110.503 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 73.5 m-85 -117.33 119.49 35.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.865 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.672 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 16.1 tpt180 -83.47 109.73 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG22 HG21 ' A' ' 79' ' ' ILE . 39.1 t -116.09 111.56 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.353 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 60.4 mt -107.15 112.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.4 mtm -116.95 162.76 17.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.1 p -92.31 14.29 16.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.356 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -144.37 153.27 41.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 111.226 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 3.7 mmmp? -82.22 -9.84 59.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.094 173.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -76.2 79.31 3.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.285 0.564 . . . . 0.0 109.897 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 t -87.51 99.21 11.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.1 p -130.51 -66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.6 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -48.83 -36.53 17.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.738 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.9 tp -61.07 -48.89 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.892 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 mtmt -74.86 -31.05 61.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 mm-40 -55.58 -51.15 68.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.6 pp -62.21 -30.31 71.0 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.097 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD22 ' SD ' ' A' ' 64' ' ' MET . 55.8 mt -72.79 -44.61 61.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.223 0.535 . . . . 0.0 110.418 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -67.22 -23.11 65.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.818 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 35' ' ' GLU . 77.0 p -65.63 -16.91 64.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 111.218 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -85.16 -10.15 57.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.542 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 61.85 12.41 4.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.603 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 5.1 ptp180 -99.9 155.25 36.66 Favored Pre-proline 0 C--O 1.235 0.292 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.24 146.06 39.88 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.072 . . . . 0.0 111.748 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -142.59 151.77 41.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.366 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 63' ' ' SER . 35.9 ttpt -103.75 110.07 22.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.764 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -93.13 122.7 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 46.8 mt-10 -124.63 139.69 53.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.654 0.264 . . . . 0.0 111.607 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -98.65 108.14 20.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.4 mmpt? -78.64 -65.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.961 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -163.83 161.43 23.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.322 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -119.8 146.85 45.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.759 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.473 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 15.1 m -56.45 160.37 3.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.298 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -65.55 -26.49 67.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.06 0.457 . . . . 0.0 110.246 -178.7 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.95 -12.17 60.57 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.69 20.83 10.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.058 0.543 . . . . 0.0 111.621 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -98.02 -28.96 13.54 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 65.1 m-85 -113.1 135.36 53.89 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -122.25 122.28 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -93.0 113.32 25.57 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.43 154.62 20.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.743 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.68 122.36 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.0 t -107.36 119.73 57.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.381 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 15.6 m -111.83 107.98 17.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' HD22 ' A' ' 37' ' ' LEU . 26.8 ptm -131.67 163.05 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 30.2 mt-10 -76.95 150.02 35.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 72' ' ' ARG . 15.3 m -135.76 126.76 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 19.5 t -87.35 -20.69 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.367 . . . . 0.0 110.297 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.9 p30 -146.64 179.99 7.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HG3' ' NE ' ' A' ' 72' ' ' ARG . 33.4 tt0 -79.26 -30.65 43.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.853 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.446 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 27.7 m -60.71 -40.35 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.415 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 33.6 mt-10 -57.8 -55.05 39.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.152 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 6.6 ppt_? -63.87 -13.48 45.44 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -95.68 -40.55 9.33 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.957 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -70.67 -44.17 67.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.845 0.355 . . . . 0.0 110.29 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.56 HD13 ' SD ' ' A' ' 64' ' ' MET . 67.3 mt -56.26 -43.41 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.377 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.63 -38.51 69.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.585 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -73.21 -37.4 66.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.418 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 78.8 mttt -67.08 -34.99 78.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.927 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -62.47 -28.49 44.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.606 176.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 m -79.56 -1.15 36.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.295 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -97.72 1.07 48.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 1.6 mt -73.73 -24.84 59.96 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.533 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 32.1 t70 73.16 -37.0 0.37 Allowed 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.779 0.674 . . . . 0.0 111.162 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 82' ' ' LEU . 70.0 mttt -71.08 -14.41 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.265 0.626 . . . . 0.0 111.078 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.79 136.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.636 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.75 -12.34 11.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.568 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.1 tp60 -156.56 137.05 13.09 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.183 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.0 p -138.87 121.79 16.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.3 mp -116.87 137.04 52.48 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.05 -2.6 56.99 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.418 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.719 -0.658 . . . . 0.0 109.672 -179.465 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.05 168.07 13.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.348 -0.454 . . . . 0.0 112.033 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -101.14 93.01 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.271 0.558 . . . . 0.0 109.578 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.1 mtp -82.65 134.13 48.14 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.454 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.88 111.51 3.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.485 2.123 . . . . 0.0 111.944 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -59.36 121.42 11.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.17 166.11 24.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -69.1 -30.53 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.7 144.6 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 68.96 127.04 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.496 0 O-C-N 123.719 0.637 . . . . 0.0 110.328 -173.237 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.97 142.91 99.44 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.455 2.103 . . . . 0.0 111.583 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -70.25 110.3 5.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -82.39 140.26 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.26 126.83 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -132.99 141.93 42.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.395 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 8.6 Cg_exo -74.09 152.87 98.78 Favored 'Cis proline' 0 C--N 1.351 0.674 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.528 -1.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -161.51 161.11 29.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.3 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.7 106.66 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -91.8 147.74 22.76 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.87 138.62 39.52 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 85.2 m-85 -132.81 106.95 8.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.297 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.819 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.2 tpp180 -83.35 110.74 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 79' ' ' ILE . 36.3 t -108.89 117.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -173.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -109.31 111.38 35.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 110.4 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 42.9 mtm -118.74 163.7 16.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.519 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -98.1 20.68 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 84' ' ' LYS . 9.3 t -147.37 154.36 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.464 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -90.2 -11.63 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.715 174.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.9 79.37 3.47 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -97.31 100.64 12.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.705 0.764 . . . . 0.0 110.097 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 30.9 t -123.39 -64.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.661 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -50.29 -31.51 14.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.6 tp -59.29 -43.66 92.55 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.367 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 8.8 mtmp? -73.62 -43.43 59.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.035 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' THR . 12.3 mm-40 -55.44 -46.37 76.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.97 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.03 -32.16 73.46 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' SD ' ' A' ' 64' ' ' MET . 49.1 mt -71.32 -41.76 69.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 109.663 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.64 -22.67 63.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.027 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -63.21 -31.35 72.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 110.504 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.517 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 95.4 m-85 -74.01 -9.8 59.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.346 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 60.41 19.33 8.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 12.1 ptp180 -112.0 149.9 41.59 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.31 138.78 68.09 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.427 2.085 . . . . 0.0 112.342 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -131.94 154.41 49.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 26.4 tttm -107.37 107.82 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.958 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 tp -95.5 126.96 41.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.356 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 54.7 mm-40 -126.21 130.96 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -111.4 108.97 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.26 -65.08 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.123 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -176.71 164.43 2.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -84.37 145.56 28.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.198 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -65.75 163.6 16.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.345 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 10.3 tmtt? -57.99 -34.52 70.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.188 0.518 . . . . 0.0 109.665 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.25 -38.32 0.39 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.701 0.8 . . . . 0.0 112.408 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -57.45 -21.08 34.73 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.824 0.449 . . . . 0.0 111.66 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -113.45 143.17 44.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -128.65 131.44 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.542 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.4 m -92.81 111.54 23.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.107 0.48 . . . . 0.0 111.205 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.54 164.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.5 t30 -150.82 135.67 17.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.9 140.61 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 11.1 m -134.09 107.31 7.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 75' ' ' ILE . 26.8 ptm -130.95 156.66 44.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.752 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.51 119.92 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.779 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 75' ' ' ILE . 27.7 m -106.82 128.09 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 15.7 m -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.406 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.8 p30 -166.13 -175.71 3.43 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 37.4 tt0 -58.91 -41.11 86.49 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.114 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.4 m -56.59 -41.59 77.25 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.464 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 67' ' ' SER . 35.2 mm-40 -61.0 -56.12 24.82 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.554 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.6 ptt180 -55.97 -34.29 65.57 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 -174.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -75.26 -40.32 58.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.1 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 5.8 pt-20 -71.75 -42.69 66.93 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.177 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.623 HG21 ' SD ' ' A' ' 64' ' ' MET . 73.7 mt -64.55 -40.01 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.679 -178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -52.59 -41.01 63.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.234 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 46.2 mt-30 -73.83 -39.07 64.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -53.98 -43.09 69.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.322 0.582 . . . . 0.0 109.723 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.2 mt -65.84 -28.76 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.259 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.0 t -75.68 -19.62 59.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.853 0.359 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 96.2 mt-30 -80.71 1.61 29.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.5 mt -74.37 -20.55 60.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.802 -176.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 74.24 -34.62 0.28 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.705 0.628 . . . . 0.0 111.577 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.528 ' HE2' HG21 ' A' ' 27' ' ' THR . 25.1 mtpt -78.42 -9.16 59.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.731 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 8.5 p -91.06 139.49 17.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.4 -30.48 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.326 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.01 132.92 17.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.98 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 p -122.09 116.23 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.303 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp -105.26 107.94 19.19 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.36 41.95 1.41 Allowed Glycine 0 C--O 1.234 0.116 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.535 -178.148 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.87 -108.97 1.78 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.709 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -90.16 112.15 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.43 155.84 83.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.211 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.05 -40.67 59.04 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.6 2.2 . . . . 0.0 111.505 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -73.87 104.06 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.824 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.38 -31.98 71.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 109.968 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -67.48 101.8 1.04 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.673 174.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.98 136.91 57.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.296 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -64.42 124.35 85.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.64 110.52 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.672 2.248 . . . . 0.0 112.056 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -63.92 109.69 1.86 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -83.28 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.336 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mm -79.57 124.09 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -110.31 140.52 22.54 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.762 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -82.02 166.58 70.99 Favored 'Cis proline' 0 C--N 1.35 0.634 0 C-N-CA 123.595 -1.419 . . . . 0.0 113.222 4.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.9 t -161.08 154.94 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.112 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.78 103.43 10.61 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.2 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -91.69 142.47 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.914 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.99 129.59 51.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.79 114.93 26.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.886 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.6 tpt180 -83.24 110.03 17.73 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 25' ' ' MET . 42.9 t -108.7 105.47 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.5 mt -100.7 104.71 16.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 53.1 mtm -113.92 161.9 17.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -88.83 -0.35 57.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 84' ' ' LYS . 13.5 t -130.33 153.86 48.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 51.1 mtmt -95.95 6.46 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.256 0.551 . . . . 0.0 109.713 173.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.34 75.74 2.44 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.216 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.463 HG21 HD21 ' A' ' 46' ' ' LEU . 4.8 t -87.21 99.25 11.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.919 0.866 . . . . 0.0 109.205 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -137.72 -59.75 0.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.866 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.5 m -52.55 -35.93 54.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.042 173.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.2 tp -63.84 -41.15 97.9 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.938 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 54.0 mtmt -72.07 -42.18 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.689 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' THR . 72.3 mm-40 -51.5 -49.05 62.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.6 pp -64.99 -32.65 74.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.579 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -72.23 -40.53 67.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.004 0.431 . . . . 0.0 110.688 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 43.7 mt-10 -70.76 -22.46 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.986 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.5 p -58.49 -32.07 68.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.1 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -78.6 -4.7 50.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.617 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 56.9 23.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.735 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 7.4 ptp180 -111.56 156.97 40.55 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.58 144.51 60.84 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.479 2.12 . . . . 0.0 112.37 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -147.62 155.96 42.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.984 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 85.2 tttt -115.68 123.07 47.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 HG21 ' A' ' 30' ' ' THR . 55.7 tp -103.26 116.05 31.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -125.95 149.54 48.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 111.778 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -105.38 110.3 22.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.0 mmpt? -82.95 -71.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.019 -175.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -142.57 176.86 8.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -147.25 145.14 29.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.805 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.3 t -61.35 158.92 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.783 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.67 -29.43 70.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.969 -178.51 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -89.01 -2.67 58.69 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.71 17.08 8.38 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.479 0.711 . . . . 0.0 112.337 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -77.21 -29.73 54.37 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.013 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -112.93 116.19 29.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.412 -175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -106.04 115.16 29.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -90.56 112.87 24.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-85 -104.73 161.05 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.928 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.48 122.45 20.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.66 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 86.5 t -115.92 119.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.226 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 69.8 p -107.26 111.44 23.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.554 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.4 ptm -139.47 162.84 34.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.277 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 38.6 mt-10 -77.43 148.82 35.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.69 126.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.3 t -89.53 -27.91 19.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.298 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -154.28 170.83 20.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.698 176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.222 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.2 t -52.6 -39.77 61.98 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.129 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -76.08 -42.45 47.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.2 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HD2' ' O ' ' A' ' 72' ' ' ARG . 5.0 tmm_? -56.78 -34.77 67.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.048 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -82.93 -53.42 5.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.9 tt0 -53.85 -50.34 66.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -175.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 79' ' ' ILE . 84.5 mt -60.06 -43.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.372 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.53 -35.22 70.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.364 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -76.35 -38.75 55.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.583 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.0 mmtp -56.93 -43.85 81.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.267 0.555 . . . . 0.0 110.065 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.3 mt -63.46 -29.2 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.519 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.526 ' HA ' HG11 ' A' ' 85' ' ' VAL . 63.0 p -81.59 -17.34 48.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.105 -0.372 . . . . 0.0 111.411 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 97.5 mt-30 -78.75 1.56 22.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.651 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 7.7 mt -78.06 -26.5 48.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.535 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.9 t70 72.57 -32.13 0.24 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HB3' HG22 ' A' ' 27' ' ' THR . 79.2 mttt -66.6 -20.52 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.493 0.717 . . . . 0.0 110.843 176.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 80' ' ' SER . 13.5 p -88.49 141.69 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.996 -176.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.05 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.252 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -148.98 137.3 20.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.737 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -129.91 127.15 39.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.16 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? -110.41 107.06 16.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.271 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.5 21.14 0.4 Allowed Glycine 0 CA--C 1.517 0.174 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.248 1.022 0 C-N-CA 123.674 0.789 . . . . 0.0 109.112 179.613 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.82 -155.69 31.14 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.331 -0.461 . . . . 0.0 112.171 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -99.82 113.32 25.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.8 ptm -94.43 139.06 22.25 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.41 148.57 73.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.448 2.099 . . . . 0.0 111.632 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -81.76 101.95 10.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -78.3 91.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -74.32 127.42 32.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.712 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -146.19 138.86 25.47 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.1 mmtp 68.11 142.9 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.654 0.596 . . . . 0.0 110.896 -174.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.1 133.47 33.33 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 111.637 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -66.32 110.67 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 0.0 110.318 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -80.63 135.45 25.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.704 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mm -86.43 104.29 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.474 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -95.99 138.84 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.155 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 85.4 Cg_endo -85.08 160.38 64.9 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.564 -1.431 . . . . 0.0 113.286 0.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -162.39 158.33 23.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.251 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -73.34 110.36 7.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -91.96 134.36 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -95.72 118.66 32.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.325 . . . . 0.0 110.657 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -109.4 145.46 36.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.957 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.775 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 15.7 tpp85 -116.48 113.55 22.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HG3' ' A' ' 25' ' ' MET . 23.0 t -110.83 103.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -173.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 69.6 mt -92.54 105.18 16.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 0.0 110.115 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.527 ' HG3' HG12 ' A' ' 23' ' ' VAL . 82.0 mtp -108.0 153.53 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.437 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 p -93.29 21.18 6.26 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.129 0.49 . . . . 0.0 110.839 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 84' ' ' LYS . 15.4 t -155.65 146.77 22.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.4 mtmp? -89.08 -1.48 58.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.707 172.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -76.83 72.36 3.42 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.512 0.672 . . . . 0.0 109.334 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -87.07 124.9 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.108 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -145.17 -70.62 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.114 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.567 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.3 m -51.33 -32.82 26.77 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.4 tp -57.42 -45.81 84.22 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.966 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.03 -40.5 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -58.09 -43.92 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -65.27 -31.37 72.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 110.422 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.638 HD22 ' SD ' ' A' ' 64' ' ' MET . 61.2 mt -71.47 -40.41 70.28 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.337 0.589 . . . . 0.0 110.161 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -60.94 -27.11 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.918 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.9 p -61.81 -24.51 66.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -84.04 -7.65 59.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 57.34 27.46 13.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.567 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.5 ptp180 -119.15 153.46 53.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.725 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.01 155.09 57.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -147.85 156.87 43.17 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -101.28 117.74 35.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.617 177.782 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -109.31 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.051 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -138.91 155.52 48.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -103.48 128.63 50.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.513 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -81.87 -77.45 0.22 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -172.47 152.29 2.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.7 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.567 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -92.19 136.93 32.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.9 m -64.42 87.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.34 -176.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.688 ' HG3' ' H ' ' A' ' 54' ' ' ASN . 10.0 ptpp? 35.08 -71.23 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.334 1.454 . . . . 0.0 114.489 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.688 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 60.8 t30 -66.34 -9.75 36.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.932 0.493 . . . . 0.0 111.026 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 73.26 14.77 4.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.71 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -76.59 -28.75 56.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.55 137.13 54.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -117.01 116.52 27.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -90.01 114.87 26.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.054 0.454 . . . . 0.0 110.466 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 94.6 m-85 -104.9 159.51 15.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.679 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -131.32 122.56 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.029 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.21 118.87 57.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.149 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -111.82 107.15 16.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.665 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.0 ptm -129.31 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.405 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 32.5 mt-10 -70.56 143.21 51.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.12 126.94 67.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 167.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 t -96.54 -11.23 25.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.716 0.293 . . . . 0.0 110.431 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 7.8 p30 -159.7 179.44 8.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.253 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.25 -30.08 48.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.463 -173.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.445 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 34.4 t -59.12 -44.47 92.02 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.29 -42.33 98.47 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.354 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.429 HH21 ' CB ' ' A' ' 91' ' ' SER . 51.8 ttt180 -54.31 -51.95 63.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 53.9 m-80 -72.23 -35.32 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.994 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 31.0 tt0 -66.3 -52.54 46.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.665 HD13 ' SD ' ' A' ' 64' ' ' MET . 89.6 mt -57.94 -41.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.844 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.84 -40.36 69.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 74.6 mt-30 -70.97 -43.44 68.08 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.474 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 35.6 mmtp -55.12 -43.31 73.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.185 0.517 . . . . 0.0 110.539 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.7 mt -60.79 -29.26 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.148 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -82.75 -3.03 55.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.612 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -93.19 1.14 57.24 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.2 mt -76.63 -23.34 53.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.071 -175.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.7 t70 73.24 -40.64 0.48 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.178 0.591 . . . . 0.0 110.527 -172.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 27' ' ' THR . 92.8 mttt -58.29 -28.4 64.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.305 0.642 . . . . 0.0 111.427 177.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 11.5 p -84.41 140.4 16.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.36 -27.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.876 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HG3' HD11 ' A' ' 89' ' ' LEU . 50.4 tp60 -141.14 122.54 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.2 p -112.68 127.44 56.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.337 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.3 mp -123.01 164.44 18.55 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 176.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.46 -25.19 0.76 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.429 ' CB ' HH21 ' A' ' 72' ' ' ARG . 34.9 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.684 -0.674 . . . . 0.0 109.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.664 0.268 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.37 -118.47 0.93 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -142.41 98.51 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.63 118.93 72.18 Favored Pre-proline 0 C--O 1.237 0.403 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.56 139.37 31.14 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.626 2.217 . . . . 0.0 112.053 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -72.52 133.17 44.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.05 173.44 6.52 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.163 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.7 p -84.57 47.58 1.39 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.539 0.685 . . . . 0.0 109.616 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.63 157.7 29.21 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.613 -176.417 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.4 mmpt? -69.52 149.04 97.11 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.897 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.27 155.28 68.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.339 2.026 . . . . 0.0 111.217 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -68.88 110.92 4.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -108.94 110.42 31.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -85.57 141.38 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.526 -173.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.409 ' OH ' ' HD3' ' A' ' 72' ' ' ARG . 96.4 m-85 -134.37 132.76 21.13 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.268 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.5 Cg_endo -75.14 157.8 99.23 Favored 'Cis proline' 0 C--N 1.354 0.861 0 C-N-CA 123.926 -1.281 . . . . 0.0 113.339 0.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -171.06 163.34 7.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.91 138.2 39.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.431 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -120.88 139.19 53.54 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.15 119.19 32.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.649 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -110.75 138.46 47.12 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.739 0.416 . . . . 0.0 110.56 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.3 tpp180 -111.16 110.94 21.68 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 26.3 t -113.91 108.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.779 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.51 111.21 31.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.501 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 79.5 mtp -115.24 165.47 12.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -98.49 14.62 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -157.62 161.22 38.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 47.0 mtpt -97.66 -8.36 28.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.114 0.483 . . . . 0.0 109.916 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.11 79.45 5.51 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' THR . 9.7 t -111.95 104.17 12.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.587 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 26.2 m -112.15 -49.04 2.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.226 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 m -54.29 -35.85 63.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.123 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 82' ' ' LEU . 52.0 tp -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.388 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 48.4 mtmt -66.35 -45.37 80.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 39' ' ' THR . 46.6 mt-10 -54.03 -47.37 71.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.842 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -66.61 -33.13 74.98 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD22 ' SD ' ' A' ' 64' ' ' MET . 84.4 mt -69.88 -39.11 76.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.9 mt-10 -71.08 -22.35 62.12 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.091 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.7 p -63.64 -23.2 67.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.924 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 75' ' ' ILE . 86.3 m-85 -82.94 -8.06 59.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.56 22.28 13.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 8.8 ptp180 -118.61 156.05 51.76 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.98 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.17 158.51 54.67 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.626 2.218 . . . . 0.0 112.677 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.25 173.36 16.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 61' ' ' ASN . 19.6 ttmm -114.96 143.2 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.511 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.8 tp -127.53 106.37 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.38 120.36 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 111.159 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.78 127.2 32.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.064 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -90.61 -73.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.667 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -155.66 148.55 24.32 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.891 0.377 . . . . 0.0 110.771 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.1 t -87.54 146.54 25.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 35.8 t -59.29 170.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.36 -47.35 75.9 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.547 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -82.93 1.66 38.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.2 9.41 4.75 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -86.2 -22.67 26.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.145 0.498 . . . . 0.0 110.837 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 71.1 m-85 -112.74 145.74 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -129.21 118.47 22.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.834 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -87.05 113.3 22.69 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.964 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 90.8 m-85 -105.07 157.51 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.237 0.541 . . . . 0.0 110.164 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.431 HD22 ' HD2' ' A' ' 45' ' ' LYS . 5.5 t30 -117.67 121.58 41.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.48 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.87 119.39 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 p -128.23 123.98 35.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.677 ' SD ' HD22 ' A' ' 37' ' ' LEU . 21.0 ptm -146.59 160.23 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.14 145.94 33.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -126.04 127.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 42.2 m -83.96 -27.24 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -141.78 178.16 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.298 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG3' ' NH1' ' A' ' 72' ' ' ARG . 36.0 tt0 -78.95 -32.88 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.833 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 m -56.93 -37.91 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.107 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.5 -39.56 88.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' NH1' ' HG3' ' A' ' 69' ' ' GLU . 42.6 ttp180 -54.66 -50.47 68.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.191 0.52 . . . . 0.0 110.347 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 7.1 m-20 -70.37 -43.93 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.258 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -51.22 -59.22 4.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.445 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.521 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.7 mt -60.71 -38.39 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.23 -45.21 88.12 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.522 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 47.1 mt-30 -63.75 -44.51 93.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.216 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -60.3 -43.76 96.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.238 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.4 mt -58.71 -29.68 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.275 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -85.56 7.5 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.445 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -103.69 7.46 37.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 3.9 mt -72.1 -20.23 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.154 -0.342 . . . . 0.0 110.545 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 19.2 t70 73.31 -42.93 0.54 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.999 0.812 . . . . 0.0 110.348 -172.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.9 mttt -63.15 -25.87 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 9.0 p -82.79 127.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.367 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.4 m -103.48 -16.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.481 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -153.85 135.92 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.974 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -131.85 111.2 11.39 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.373 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.704 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.1 mm? -103.8 115.22 30.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.86 28.85 7.37 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.878 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.252 1.186 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.482 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.66 144.97 2.23 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.212 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -126.42 102.23 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.191 0.519 . . . . 0.0 110.135 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.3 mpp? -80.05 159.56 70.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.321 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.15 166.19 6.05 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.714 2.276 . . . . 0.0 112.145 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -75.63 91.64 2.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.183 0.516 . . . . 0.0 111.299 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.68 -171.17 2.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.261 172.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.5 m -74.74 68.28 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.192 0.52 . . . . 0.0 110.143 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 9.0 mmpt? -139.28 134.75 33.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 31.9 mmtp 70.77 151.6 0.14 Allowed Pre-proline 0 N--CA 1.468 0.471 0 O-C-N 123.779 0.674 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.09 104.15 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.196 1.931 . . . . 0.0 110.737 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -66.73 119.71 12.27 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -105.79 120.83 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.952 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.52 107.28 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.084 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -74.29 152.3 87.99 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 96.1 Cg_endo -80.84 164.89 77.44 Favored 'Cis proline' 0 C--N 1.356 0.946 0 C-N-CA 123.943 -1.274 . . . . 0.0 112.991 1.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -155.36 149.09 25.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.231 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.74 103.44 6.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.661 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -98.65 146.11 26.18 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.293 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -104.09 141.3 36.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 74.1 m-85 -128.33 116.98 20.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.175 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 4.3 tpp180 -80.69 110.98 16.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.3 t -112.09 107.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 -176.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.0 mt -99.3 109.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.3 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.547 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 78.8 mtp -114.17 150.58 33.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 23.3 p -88.37 33.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 110.883 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.578 HG21 ' HE3' ' A' ' 84' ' ' LYS . 8.7 t -156.9 156.05 32.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -93.24 -9.74 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 171.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -87.24 83.74 7.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.277 0.561 . . . . 0.0 109.997 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.6 t -84.2 99.33 10.46 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 p -111.94 -77.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.417 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.501 ' HB ' HD22 ' A' ' 82' ' ' LEU . 6.7 m -51.21 -30.96 18.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 -177.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.4 tp -59.07 -53.5 57.63 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 54.4 mtmt -66.07 -38.18 87.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.474 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 31' ' ' SER . 45.5 mm-40 -56.15 -51.0 69.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -66.41 -31.93 73.0 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -176.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' A' ' 64' ' ' MET . 95.3 mt -65.06 -42.18 94.43 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.963 0.411 . . . . 0.0 110.624 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 48.7 mt-10 -67.29 -24.77 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.874 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 p -64.48 -18.68 65.01 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.651 0.262 . . . . 0.0 111.517 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -82.37 -4.96 58.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.125 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 61.86 17.71 9.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.3 ptp180 -115.07 154.79 47.18 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.16 147.58 67.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.384 2.056 . . . . 0.0 112.1 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -137.65 172.92 12.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.444 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 58.9 tptt -135.61 122.6 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.65 107.4 16.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -119.45 129.16 54.62 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.743 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.417 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 86.1 t80 -84.81 107.66 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -86.94 -53.42 4.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -155.45 163.7 39.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.007 -173.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.417 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 15.1 t -128.08 145.61 50.94 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.763 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 16.5 t -62.19 160.12 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -62.13 -33.87 75.29 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -79.21 -10.05 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.306 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.23 17.51 4.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.225 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 26' ' ' THR . 39.3 ttmt -95.45 -26.4 15.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.488 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 78.5 m-85 -113.4 118.51 34.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.769 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -109.44 127.83 54.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.211 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -91.86 112.24 24.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.962 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -105.79 151.15 24.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.412 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -120.64 121.28 37.98 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 88.2 t -107.48 119.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.769 177.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -119.2 114.36 22.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.91 0.386 . . . . 0.0 110.069 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.9 ptm -140.99 165.54 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.883 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 35.1 mt-10 -73.67 150.97 40.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.895 0.378 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.45 126.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 167.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 38.5 t -90.49 -33.97 15.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.138 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.3 p30 -130.63 173.86 10.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.207 0.527 . . . . 0.0 110.596 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.64 ' HG3' HH21 ' A' ' 72' ' ' ARG . 45.0 tt0 -79.13 -26.96 42.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.601 -175.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.457 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 22.6 t -64.59 -39.46 93.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.412 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.67 -38.61 75.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.647 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.64 HH21 ' HG3' ' A' ' 69' ' ' GLU . 13.0 ttp180 -59.65 -26.73 65.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.57 -45.44 10.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.085 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 33.9 tt0 -58.93 -56.24 24.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.101 -178.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.1 mt -56.96 -41.46 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.444 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.56 -43.37 75.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.503 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 78.4 mt-30 -69.17 -41.43 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.72 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 75.8 mmtt -56.34 -42.06 77.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 109.999 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.1 mt -62.83 -29.42 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.988 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 t -77.96 -21.58 50.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 96.4 mt-30 -71.23 -10.37 59.65 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.772 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -67.48 -35.53 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.393 -176.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.4 t70 73.18 -37.65 0.39 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.496 0.719 . . . . 0.0 111.167 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.578 ' HE3' HG21 ' A' ' 27' ' ' THR . 14.2 mtpp -57.37 -27.18 62.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 175.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 8.9 p -84.35 139.96 16.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.606 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 m -109.45 -24.82 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -141.43 119.35 11.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.5 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.8 p -112.01 122.74 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.203 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 6.7 mp -107.29 124.99 50.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.433 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -144.98 79.74 0.24 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.573 -176.828 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.816 0.341 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.41 128.38 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.479 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -112.8 91.88 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.5 mpp? -104.06 113.06 65.64 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.257 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.37 117.29 3.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.687 2.258 . . . . 0.0 111.564 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -93.57 19.1 8.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.362 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.43 -40.85 72.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -118.87 32.62 6.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.273 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -51.73 131.05 29.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.972 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -98.84 139.77 21.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.764 173.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.76 124.94 12.51 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.629 2.219 . . . . 0.0 112.394 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -69.78 116.89 10.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.04 133.8 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mm -76.44 124.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.459 -175.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -135.52 129.01 18.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.392 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 83.0 Cg_endo -78.28 163.54 86.78 Favored 'Cis proline' 0 C--N 1.352 0.736 0 C-N-CA 123.653 -1.394 . . . . 0.0 113.031 1.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -167.54 165.36 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.348 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -83.77 106.94 15.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.434 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -96.67 143.59 27.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.108 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -98.09 137.28 37.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.1 m-85 -124.02 119.89 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.137 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 9.8 tpt180 -82.92 109.41 17.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 60' ' ' PHE . 33.2 t -109.29 104.26 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.23 -176.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -101.2 102.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.873 0.368 . . . . 0.0 110.493 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 52.1 mtm -112.59 157.44 21.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -94.91 32.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.572 HG21 ' HE2' ' A' ' 84' ' ' LYS . 8.8 t -153.32 155.28 36.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.335 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 3.4 mmmp? -93.97 -9.27 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.59 85.8 6.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.043 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 3.8 t -93.02 100.36 12.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -125.89 -64.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.835 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -52.39 -35.14 50.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.875 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 60.2 tp -58.39 -54.51 46.19 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.544 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 52.2 mtmt -64.42 -39.79 94.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 39' ' ' THR . 78.0 mm-40 -54.66 -48.81 71.88 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 78' ' ' LYS . 1.6 pp -64.57 -32.75 74.53 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' ' 64' ' ' MET . 65.2 mt -68.9 -41.73 77.86 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.351 0.596 . . . . 0.0 110.21 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.8 mt-10 -74.62 -20.35 59.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.001 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 35' ' ' GLU . 51.8 p -63.36 -28.24 69.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 111.108 177.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.09 -9.59 58.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.053 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 60.79 28.29 18.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.988 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 5.6 ptp180 -114.72 157.47 42.91 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.174 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.39 158.17 54.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 0.0 111.767 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -153.11 163.54 39.67 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.211 0.529 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 38.2 ttpt -115.51 103.68 10.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.521 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -91.16 120.15 31.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.86 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -126.41 140.88 52.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.847 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -109.18 107.98 18.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.1 -67.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.995 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 51' ' ' THR . 41.2 t-20 -170.63 157.05 5.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.588 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -89.08 145.52 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' ASN . 31.9 m -69.27 86.26 0.4 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.268 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 47.0 -82.36 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.411 1.085 . . . . 0.0 113.263 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' SER . 60.1 t30 -82.26 23.94 0.7 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 111.366 -172.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 59.76 20.63 9.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.86 -40.1 75.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.573 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -132.87 151.04 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -117.99 114.84 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -87.91 112.14 22.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.411 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 99.2 m-85 -105.51 158.1 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.511 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.92 122.14 20.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.09 119.49 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.9 m -107.25 109.31 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.8 ptm -134.62 160.49 37.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 26.9 mt-10 -73.21 146.02 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 17.6 m -134.12 127.48 51.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.546 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 36.0 t -81.41 -24.41 36.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -177.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -162.59 176.09 10.74 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.168 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 35.2 tt0 -65.81 -31.07 71.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -57.1 -42.46 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.346 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.94 -48.01 67.1 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.273 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 8.6 ptm180 -59.35 -35.96 74.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.599 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 80.6 m-20 -73.04 -43.07 62.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.205 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 38.0 tt0 -57.18 -53.3 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.176 0.512 . . . . 0.0 110.25 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.487 HG21 ' SD ' ' A' ' 64' ' ' MET . 63.8 mt -58.54 -45.66 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.599 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.87 -39.24 62.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.128 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.8 mt-30 -71.49 -42.96 67.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.232 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HB2' HD13 ' A' ' 36' ' ' LEU . 72.9 mttt -64.17 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 73.2 mt -59.98 -29.16 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' HG11 ' A' ' 85' ' ' VAL . 22.8 t -84.43 -18.53 35.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 99.0 mt-30 -79.61 7.16 8.85 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.979 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 9.6 mt -78.1 -25.15 47.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.1 t70 74.39 -36.95 0.34 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.619 0.767 . . . . 0.0 111.273 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.572 ' HE2' HG21 ' A' ' 27' ' ' THR . 26.9 mtpt -68.06 -12.65 61.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.183 0.516 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.6 p -95.47 135.09 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.609 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.4 -27.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -151.12 128.83 11.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.82 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 p -120.59 118.16 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.249 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.861 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -108.03 105.08 14.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.69 -17.58 23.21 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.324 177.833 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.25 160.38 34.04 Favored Glycine 0 C--O 1.237 0.284 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.994 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -73.42 107.7 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 22.5 ptp -50.03 129.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.998 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 20.2 Cg_exo -65.81 95.31 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.584 2.19 . . . . 0.0 111.694 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -79.79 166.08 22.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.299 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.75 151.75 45.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -67.39 131.64 46.1 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 66.57 95.56 0.06 Allowed 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.628 0.58 . . . . 0.0 109.914 -172.039 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' H ' ' HE3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -102.85 139.68 20.37 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.793 -179.212 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.87 137.02 78.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.506 2.137 . . . . 0.0 111.76 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.9 m -69.56 110.87 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.012 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mm -84.36 117.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.908 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mm -80.38 113.75 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -102.25 141.27 22.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -80.3 161.79 84.14 Favored 'Cis proline' 0 C--N 1.351 0.675 0 C-N-CA 123.67 -1.388 . . . . 0.0 112.995 1.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -164.93 163.84 20.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.594 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.17 103.39 11.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.839 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -93.8 140.59 29.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.92 137.07 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.842 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 98.5 m-85 -123.18 115.93 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.879 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 14.2 tpt180 -84.19 112.03 19.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.425 HG22 HG21 ' A' ' 79' ' ' ILE . 27.5 t -120.25 140.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 55.3 mt -133.93 122.15 41.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 172.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 68.9 mtm -126.59 161.68 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -92.92 12.8 22.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.634 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -134.85 140.7 46.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.066 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -82.37 -16.96 47.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -87.29 92.99 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.656 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 4.9 t -103.4 101.19 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.894 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.9 m -104.33 -60.8 1.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.991 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -49.37 -42.11 41.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' HB3' ' OG1' ' A' ' 30' ' ' THR . 9.7 tt -61.15 -38.39 86.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.494 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HE3' ' O ' ' A' ' 30' ' ' THR . 10.4 mtmp? -75.04 -38.37 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.632 0.253 . . . . 0.0 110.365 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' SER . 30.7 mm-40 -57.28 -46.79 82.78 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.3 pp -65.18 -31.05 72.04 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 93.9 mt -73.48 -39.93 64.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.094 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 61.3 mm-40 -61.56 -30.53 70.71 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.33 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -67.04 -11.79 58.06 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.96 -9.68 42.13 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 54.62 36.62 26.43 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.772 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -129.6 154.92 80.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.19 154.41 72.38 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.283 1.989 . . . . 0.0 111.949 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -155.14 149.94 26.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.137 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 56.3 tttp -96.62 103.17 15.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 tp -86.34 106.23 17.24 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 20.5 mm-40 -109.42 141.41 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.783 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 58' ' ' TYR . 82.2 t80 -111.41 106.81 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 166.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 61' ' ' ASN . 75.3 mmtt -84.34 -44.94 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.257 -171.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -171.15 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.663 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 5.2 t -127.16 146.44 50.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 p -56.99 155.7 7.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.31 -29.42 70.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.664 0.269 . . . . 0.0 111.13 -175.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -78.54 -10.0 59.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 63.47 28.24 15.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.045 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.599 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -102.76 -23.3 13.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.604 176.33 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -116.71 114.75 24.46 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.071 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' PHE . 40.5 m-85 -104.46 123.94 48.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.283 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -94.87 113.04 24.73 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 111.09 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -105.08 163.97 12.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.539 176.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.438 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 6.3 t30 -145.91 123.27 11.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 59.4 t -102.16 119.22 50.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 15.7 m -113.41 105.74 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.7 ptm -134.66 153.45 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 -173.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.13 117.41 14.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.582 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.5 m -105.77 127.57 60.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 22.1 t -85.46 -22.96 28.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -155.98 -179.07 7.78 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.47 -29.84 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.184 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -63.19 -31.51 72.68 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.1 mt-10 -69.05 -45.29 70.78 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.831 173.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.473 HH21 ' HA ' ' A' ' 91' ' ' SER . 39.3 ttt180 -54.19 -53.3 55.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.73 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -59.67 -35.11 73.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 28.4 tt0 -68.51 -48.15 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 71' ' ' GLU . 70.1 mt -62.07 -37.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.607 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -58.82 -45.03 90.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 52.2 mt-30 -64.04 -43.54 95.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.307 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HB3' HD22 ' A' ' 36' ' ' LEU . 74.1 mmtt -53.09 -47.24 68.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.196 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -63.76 -29.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.879 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 t -80.64 -10.26 59.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.833 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 97.8 mt-30 -88.1 -9.54 52.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt -70.38 -26.62 63.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.749 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.1 t70 73.02 -34.59 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.627 0.58 . . . . 0.0 111.155 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 82' ' ' LEU . 81.7 mttt -68.54 -11.85 60.47 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.382 0.673 . . . . 0.0 111.37 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 14.8 p -84.97 142.13 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.939 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.4 -2.49 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.6 tp-100 -159.1 127.65 5.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.013 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 p -133.1 112.79 12.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.32 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.914 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.4 mp -120.74 113.63 20.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 174.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.81 7.43 35.98 Favored Glycine 0 C--O 1.235 0.189 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.473 ' HA ' HH21 ' A' ' 72' ' ' ARG . 2.8 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.506 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.6 -81.87 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.125 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -141.96 145.26 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.3 ptp -80.07 121.52 82.05 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.897 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 61.5 Cg_endo -73.02 97.34 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.426 2.084 . . . . 0.0 110.935 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -57.3 94.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.259 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.1 t70 55.41 34.93 23.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.952 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 5' ' ' PRO . 27.7 m -76.61 11.96 1.46 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.35 138.55 49.33 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.241 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -87.03 147.53 43.06 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -60.76 138.22 78.05 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.573 2.182 . . . . 0.0 112.665 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.0 m -65.18 114.96 5.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.117 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -82.05 139.92 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.448 -177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.0 mp -76.84 126.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.274 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -131.73 137.3 30.02 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.697 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.8 Cg_endo -80.2 163.49 82.08 Favored 'Cis proline' 0 C--N 1.351 0.689 0 C-N-CA 123.715 -1.369 . . . . 0.0 112.755 -0.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 51.4 t -172.09 164.9 6.18 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.112 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 62.2 mt -70.68 109.73 5.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.177 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -94.0 128.1 40.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -98.58 124.26 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.153 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 63.7 m-85 -100.48 135.48 41.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.186 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.822 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.5 tpt180 -92.53 109.07 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.1 t -112.02 131.63 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.499 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -118.91 107.82 22.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.236 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' HG3' HG12 ' A' ' 23' ' ' VAL . 80.6 mtp -115.77 159.2 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 p -96.48 14.63 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.51 HG21 ' HE3' ' A' ' 84' ' ' LYS . 11.2 t -138.6 157.28 46.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -175.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -97.81 -7.47 30.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.979 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.89 100.2 9.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.979 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 30' ' ' THR . 9.1 t -130.41 100.48 5.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.857 0.837 . . . . 0.0 110.549 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 35.5 t -98.05 -43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.642 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.7 m -54.89 -29.1 55.0 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 82' ' ' LEU . 39.5 tp -61.07 -45.35 95.11 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.386 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -73.85 -33.53 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.2 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 19.0 mm-40 -56.07 -47.73 77.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.0 pp -65.55 -30.62 71.39 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -74.25 -35.66 63.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.62 -25.0 67.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -62.16 -36.55 82.19 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 110.097 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.59 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 87.9 m-85 -80.95 -27.74 35.93 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 57.33 31.78 20.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.59 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -110.43 150.07 41.11 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.35 137.87 83.58 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.674 2.249 . . . . 0.0 112.015 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -144.52 150.55 37.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 36.3 ttpt -112.41 114.71 27.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 tt -109.12 107.1 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 13.2 mm-40 -125.04 154.52 41.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.266 -173.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 87.3 t80 -92.99 108.44 20.0 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 68.9 mmtt -74.85 -61.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.262 -176.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -166.57 170.23 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.652 -173.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.4 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 9.0 t -142.82 145.98 33.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -57.71 150.5 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -53.98 -33.64 57.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -76.4 -15.02 60.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 26.61 12.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.472 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -89.33 -36.64 15.42 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.3 124.22 51.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.206 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -110.79 131.78 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.033 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -100.88 113.32 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -104.9 165.8 10.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.318 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.9 t30 -124.23 128.67 49.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.582 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 33' ' ' LEU . 72.3 t -116.75 118.45 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 33.0 m -126.41 106.88 9.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.575 ' SD ' HD13 ' A' ' 75' ' ' ILE . 23.4 ptm -135.31 151.93 51.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.199 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.05 115.59 8.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.38 127.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.521 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 6.6 m -61.75 -44.73 96.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.555 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -164.53 -167.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.987 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' HD21 ' A' ' 73' ' ' ASN . 41.6 tt0 -57.0 -33.72 67.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.681 0.277 . . . . 0.0 111.415 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 t -56.33 -47.6 78.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.96 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 11.9 mp0 -66.37 -50.13 64.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.002 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -62.72 -14.89 49.76 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.055 -177.207 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 HD21 ' HG2' ' A' ' 69' ' ' GLU . 94.5 m-20 -85.74 -48.15 9.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.517 174.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 13.8 pt-20 -64.62 -44.49 90.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.784 -176.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.575 HD13 ' SD ' ' A' ' 64' ' ' MET . 64.1 mt -62.88 -40.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.661 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.82 -38.45 67.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.434 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.17 -37.18 72.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.706 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 70.4 mmtt -60.23 -37.71 81.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.117 0.485 . . . . 0.0 109.92 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.3 mm -60.05 -29.3 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.103 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.1 t -77.3 -19.3 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -83.64 6.13 21.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.1 mt -79.28 -20.66 47.47 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.8 t70 75.82 -32.87 0.21 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.834 0.709 . . . . 0.0 111.661 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HE3' HG21 ' A' ' 27' ' ' THR . 8.6 mtpp -86.89 6.08 33.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.934 0.397 . . . . 0.0 111.148 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 133.11 49.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.454 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -99.13 -33.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.301 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.499 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.3 tp-100 -139.96 136.79 34.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -127.75 120.97 29.08 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 mp -115.67 128.35 55.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.5 59.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.38 -176.281 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.668 0.27 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.74 32.69 74.48 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.9 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -93.55 121.15 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.442 0.297 . . . . 0.0 110.686 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt -83.56 154.58 65.61 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.81 96.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.493 2.129 . . . . 0.0 111.769 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 p -94.35 -48.12 6.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.731 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.17 145.23 36.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.476 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -87.1 150.93 23.65 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 11.2 mmpt? -88.77 149.65 23.33 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 68.15 150.29 0.12 Allowed Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 123.536 0.523 . . . . 0.0 111.704 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.85 141.07 29.79 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.451 2.1 . . . . 0.0 111.846 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 m -84.97 111.47 19.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.059 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mm -82.04 141.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 mm -82.67 126.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 -175.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -137.7 133.42 17.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.774 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.1 Cg_exo -79.77 146.35 75.44 Favored 'Cis proline' 0 C--N 1.351 0.704 0 C-N-CA 123.988 -1.255 . . . . 0.0 112.211 -1.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 49.9 t -159.39 173.71 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -81.81 123.53 28.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.627 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -106.79 141.78 37.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.7 119.03 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.666 -175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.91 124.52 52.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.022 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.673 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 19.1 tpp85 -98.15 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.5 116.8 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.9 mt -106.89 116.47 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 65.5 mtm -121.33 166.87 13.44 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -98.72 16.4 22.24 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.16 0.505 . . . . 0.0 111.07 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -135.34 159.01 42.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.657 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -90.8 -14.69 31.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 170.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.79 85.11 4.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -91.78 99.75 12.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.346 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 15.0 m -128.25 -64.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.638 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -49.5 -36.74 23.97 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.155 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 56.3 tp -59.54 -42.33 92.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.5 mtmt -75.25 -34.23 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.69 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' THR . 15.2 mm-40 -55.82 -51.2 68.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.79 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.9 pp -62.23 -31.04 71.53 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.517 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.1 mt -69.73 -42.65 73.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.18 -23.22 61.24 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.991 -175.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' GLU . 68.7 p -64.37 -21.3 66.58 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.053 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -84.04 -9.05 58.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.633 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 60.57 33.06 20.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.494 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 16.3 ptp180 -123.98 153.78 67.69 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.85 154.49 70.94 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.456 2.104 . . . . 0.0 112.444 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -148.75 160.2 43.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.838 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.619 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 4.1 tmmm? -117.27 110.75 18.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD22 ' HD3' ' A' ' 34' ' ' LYS . 59.2 tp -95.29 134.47 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 156.4 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.644 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -109.12 135.87 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mmpm? -105.05 -73.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.485 0.184 . . . . 0.0 111.132 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -146.19 167.29 23.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -131.29 146.88 52.49 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.269 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.0 t -62.45 165.03 6.56 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.423 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -56.99 -40.36 76.43 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.66 9.62 31.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.93 26.13 12.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.381 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -28.71 37.5 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.75 138.85 54.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.235 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -123.49 122.11 37.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -97.85 114.59 26.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.888 0.375 . . . . 0.0 110.754 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.35 145.07 31.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.547 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -107.05 122.48 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.562 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 33' ' ' LEU . 67.1 t -124.83 119.74 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 41.8 p -120.73 119.47 32.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.614 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.5 ptm -137.77 162.72 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.396 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.75 143.46 47.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -134.01 128.11 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.218 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 28.2 t -85.69 -27.92 25.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -152.6 -179.69 7.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.08 0.467 . . . . 0.0 111.312 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -75.02 -28.56 60.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.539 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 -39.82 83.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.353 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 74' ' ' GLU . 79.5 mt-10 -72.68 -27.25 61.97 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -56.13 -45.08 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 109.502 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.6 m-20 -77.91 -38.8 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 71' ' ' GLU . 13.4 tp10 -56.54 -58.68 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.974 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.614 HD13 ' SD ' ' A' ' 64' ' ' MET . 65.9 mt -63.14 -35.43 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.505 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -55.85 -46.07 78.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.267 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -63.47 -43.49 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.462 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -55.48 -44.62 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.76 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.9 mt -62.64 -29.35 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.841 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.9 p -85.29 3.21 40.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.817 -0.552 . . . . 0.0 111.728 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 89.7 mt-30 -100.28 14.99 29.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.575 0.226 . . . . 0.0 111.135 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 32.9 mt -82.64 -23.0 34.48 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -175.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 73.36 -47.49 0.66 Allowed 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.656 0.598 . . . . 0.0 110.897 -174.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -63.0 -23.99 67.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.212 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 12.5 p -79.01 140.98 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.365 -175.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.16 -22.52 4.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.062 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.5 tp-100 -141.89 132.32 25.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 110.358 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.52 HG22 HG22 ' A' ' 79' ' ' ILE . 16.4 p -126.92 110.05 12.6 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.091 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -105.51 105.12 15.02 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.86 -0.21 22.89 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.227 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.055 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.648 0.261 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.65 79.28 1.45 Allowed Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.171 -0.537 . . . . 0.0 111.865 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -102.44 137.68 40.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.652 0.263 . . . . 0.0 110.504 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.2 mpp? -111.15 159.52 32.45 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.387 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.79 164.03 8.37 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.653 2.235 . . . . 0.0 111.916 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -84.12 -168.47 2.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.509 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.06 -40.52 97.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.97 0.414 . . . . 0.0 110.661 -177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -141.9 -25.74 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.958 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.51 139.94 51.72 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.604 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.2 mmpt? 66.35 78.14 0.26 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.793 0.683 . . . . 0.0 110.776 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.48 166.22 29.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.875 2.383 . . . . 0.0 111.646 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.6 m -93.56 110.91 22.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -101.92 131.2 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.667 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mm -94.07 113.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.435 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.75 151.77 37.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.071 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.59 155.22 76.3 Favored 'Cis proline' 0 C--N 1.351 0.666 0 C-N-CA 124.374 -1.094 . . . . 0.0 112.297 -1.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -160.8 158.96 29.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.568 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.72 103.84 1.5 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.887 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -96.74 141.92 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.36 130.78 42.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 111.418 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -124.26 109.49 13.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.664 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.809 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 12.6 tpp85 -88.24 113.91 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 35.8 t -107.35 129.52 61.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.456 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.9 mt -121.44 112.52 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 65.7 mtm -119.56 171.82 8.09 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.381 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -95.74 19.24 11.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.019 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.0 t -148.06 161.9 40.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -91.15 -10.74 40.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.753 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.63 86.3 3.95 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.828 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.516 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.1 t -94.98 99.72 11.69 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 32.5 t -124.77 -62.65 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.106 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.5 m -49.06 -36.49 18.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.771 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -58.59 -49.43 77.48 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.347 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 30' ' ' THR . 51.6 mtmt -63.17 -45.74 90.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 24.4 mm-40 -52.44 -51.18 60.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.269 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.6 pp -66.08 -31.05 71.69 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.644 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.0 mt -70.56 -40.3 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.462 . . . . 0.0 110.438 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 37.0 mt-10 -72.18 -19.69 61.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.834 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.0 p -64.1 -26.42 68.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -75.91 -8.06 56.03 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.382 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 64.41 19.4 11.78 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.513 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD2' ' SD ' ' A' ' 64' ' ' MET . 4.7 ptp180 -113.14 153.88 45.28 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.415 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.75 156.67 44.13 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.527 2.151 . . . . 0.0 111.543 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.88 154.9 41.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.699 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -98.62 107.13 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.683 178.103 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 tp -102.26 119.61 39.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.81 142.14 38.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.849 0.357 . . . . 0.0 111.297 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.99 121.05 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 170.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.3 mmpt? -85.63 -63.34 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.749 -177.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -171.92 159.31 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.367 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -87.04 147.28 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t -58.28 -179.61 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.123 0.487 . . . . 0.0 111.241 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -62.32 -19.22 63.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 109.315 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.41 138.1 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.069 169.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.73 -6.95 1.96 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.566 0.346 . . . . 0.0 111.817 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -54.52 -32.81 58.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 61.4 m-85 -122.32 142.08 50.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.014 0.435 . . . . 0.0 111.282 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.44 136.0 54.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.302 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m -106.6 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.014 0.435 . . . . 0.0 111.294 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -105.48 165.67 10.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.716 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.27 129.66 31.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.011 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 89.0 t -119.0 118.82 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.81 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 17.8 m -118.31 106.96 13.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 ptp -127.16 158.65 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 110.684 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -79.39 108.77 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.875 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 m -88.73 130.07 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.12 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 t -60.96 -47.49 86.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.212 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -155.94 -178.51 7.35 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.442 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.61 -31.48 70.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.615 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.3 t -71.21 -46.62 60.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.786 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 75' ' ' ILE . 38.1 tt0 -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.901 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.56 -46.16 73.61 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.342 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -63.43 -39.18 93.79 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.78 -50.76 67.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.904 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' SD ' ' A' ' 64' ' ' MET . 73.9 mt -56.31 -41.42 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.22 -43.71 71.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.506 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -68.95 -41.64 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.648 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 36' ' ' LEU . 34.6 mmtp -58.48 -43.69 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.6 mt -62.82 -29.72 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.606 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.45 ' HA ' HG11 ' A' ' 85' ' ' VAL . 43.4 p -85.29 9.8 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.097 -0.377 . . . . 0.0 111.76 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -99.22 11.96 37.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.3 mt -77.08 -24.6 51.85 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 71.92 -42.32 0.53 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.84 0.856 . . . . 0.0 111.085 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HD3' HG21 ' A' ' 27' ' ' THR . 16.2 ptpt -71.27 -5.88 35.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.2 p -91.66 139.55 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.408 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.21 -23.78 4.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.401 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -151.34 136.74 17.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -129.35 129.47 44.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.9 mm? -114.13 104.71 12.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 -3.71 47.56 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.773 179.132 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.7 0.286 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.22 150.78 7.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.998 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -125.67 146.01 49.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.6 mtm -87.14 131.61 44.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -48.91 100.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.869 2.379 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -122.7 95.94 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -79.09 112.18 16.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 t -156.59 131.53 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.404 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.624 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -59.82 102.75 0.17 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.718 -177.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.4 mmtp -61.95 137.16 95.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.77 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.5 121.83 9.34 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.515 2.144 . . . . 0.0 111.923 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.5 m -75.91 110.8 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.56 137.75 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.242 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -89.74 103.35 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.669 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -94.22 145.62 30.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.0 Cg_exo -79.79 154.78 88.02 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.469 -1.055 . . . . 0.0 112.488 -0.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.8 t -163.07 161.31 25.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.25 122.39 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.618 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.0 t-105 -117.46 145.54 44.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -91.38 131.59 36.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.115 0.483 . . . . 0.0 111.239 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 91.2 m-85 -121.77 114.81 21.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.615 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.845 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.3 tpp85 -85.86 112.38 21.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.7 t -113.23 110.92 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.418 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -101.94 112.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 70.6 mtm -121.53 162.88 19.78 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.388 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -93.89 13.46 22.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.888 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 ' HD3' ' A' ' 84' ' ' LYS . 13.1 t -130.34 161.9 30.26 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -95.51 -15.32 22.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.725 172.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.82 80.96 7.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.276 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -79.25 100.11 7.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.576 0.703 . . . . 0.0 109.188 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 9.3 p -122.93 -73.6 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.452 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -49.26 -36.02 19.27 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.8 tp -57.36 -46.9 82.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.827 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 37' ' ' LEU . 54.6 mtmt -75.8 -33.83 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.815 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 31' ' ' SER . 42.4 mt-10 -58.6 -43.4 89.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -68.01 -31.36 70.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.308 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 34' ' ' LYS . 67.3 mt -65.66 -40.97 93.01 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.245 0.545 . . . . 0.0 109.679 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 45.9 mt-10 -65.43 -31.19 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.547 -177.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -64.66 -21.44 66.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 111.271 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 93.6 m-85 -83.38 -9.78 58.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.569 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 62.18 24.36 14.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.266 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.6 ptp180 -119.7 147.12 43.16 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.181 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.41 162.98 38.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.602 2.201 . . . . 0.0 112.576 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -155.29 172.49 18.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.99 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.611 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 5.1 ttpm? -127.33 112.32 14.9 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.52 124.79 34.35 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 44.3 mt-10 -125.65 143.8 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 111.684 -178.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -110.72 107.91 17.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.7 -60.85 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.466 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -167.37 163.77 15.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.682 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.512 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 13.7 t -98.65 136.21 39.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' ASN . 30.9 t -72.79 83.99 1.2 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.395 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 47.26 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 112.885 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 52' ' ' SER . 65.9 m-20 -77.23 6.25 7.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 63.73 19.87 11.94 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -76.78 -35.84 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.246 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -121.69 148.67 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.855 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.42 125.71 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.9 p -94.42 112.41 24.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.874 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.54 158.7 16.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 8.9 t30 -138.4 132.01 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.63 118.54 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.097 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 78.6 p -105.58 106.87 17.56 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.493 ' SD ' HD13 ' A' ' 75' ' ' ILE . 26.5 ptm -129.11 160.17 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.248 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.4 136.76 47.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.0 126.79 73.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 21.0 t -84.07 -23.39 30.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.174 0.511 . . . . 0.0 109.891 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.63 178.33 10.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.896 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 23.2 tt0 -85.95 -17.8 34.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.535 -175.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -63.4 -40.75 98.06 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -67.17 -37.23 83.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.913 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 76.3 ttt180 -54.58 -34.21 61.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 87.7 m-20 -85.19 -42.47 14.68 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.699 177.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.0 tt0 -58.34 -50.12 74.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.056 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.5 mt -58.94 -40.06 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.69 -42.06 78.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 52.0 mt-30 -68.66 -36.96 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.372 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 74.8 mmtt -59.01 -41.9 88.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.158 0.504 . . . . 0.0 109.815 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.5 mt -60.88 -28.99 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.929 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -75.78 -19.39 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 95.7 mt-30 -84.04 0.58 47.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -75.42 -22.22 57.56 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.46 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t70 72.55 -31.18 0.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.277 0.631 . . . . 0.0 111.712 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -88.86 4.2 48.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.416 0.686 . . . . 0.0 111.336 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 11.3 p -92.23 137.65 21.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.444 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -112.31 -15.33 10.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 59.0 tp60 -156.09 131.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.475 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 79' ' ' ILE . 47.6 p -121.89 122.68 39.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.829 -177.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp -120.31 109.76 15.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.22 -1.59 18.55 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.052 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.243 0.757 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.881 178.426 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.36 62.72 4.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.293 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -141.86 128.13 19.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 65.7 mtt -60.44 126.64 85.07 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 50.1 Cg_exo -56.33 -16.07 16.72 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.098 2.532 . . . . 0.0 113.359 -174.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m 64.89 35.57 8.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.067 0.46 . . . . 0.0 111.289 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.78 95.31 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.5 p -140.66 95.62 2.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.106 0.479 . . . . 0.0 111.113 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -114.35 -167.8 1.27 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.5 mmpt? 73.62 137.25 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.227 0.611 . . . . 0.0 110.934 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.14 121.52 9.4 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.534 2.156 . . . . 0.0 112.062 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -74.34 128.11 34.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.511 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -100.84 133.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.855 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mm -84.34 93.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 110.552 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -76.88 138.57 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.584 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 2.9 Cg_endo -81.78 145.56 64.0 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 124.261 -1.141 . . . . 0.0 112.614 0.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 43.3 t -154.11 169.07 24.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -79.65 141.36 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.946 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -129.76 139.18 51.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.69 129.27 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.228 0.33 . . . . 0.0 110.398 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 76.0 m-85 -117.04 114.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.839 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.4 tpp180 -79.42 109.1 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 25' ' ' MET . 49.0 t -111.66 111.7 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.728 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.38 109.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.296 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.463 ' HG3' HG12 ' A' ' 23' ' ' VAL . 84.2 mtp -120.23 159.03 25.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -97.19 16.58 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.676 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 t -136.87 132.57 34.74 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.9 mtmp? -72.36 -19.99 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.664 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -99.75 83.67 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.243 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -90.04 125.96 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.26 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 -53.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.406 ' HB ' HD22 ' A' ' 82' ' ' LEU . 8.8 m -52.25 -33.86 43.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.54 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 66.5 tp -59.28 -45.0 92.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.344 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 37' ' ' LEU . 57.6 mtmt -74.92 -31.51 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -61.76 -47.0 87.19 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.103 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.5 pp -66.02 -30.67 71.26 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.89 0.376 . . . . 0.0 110.396 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' ' 64' ' ' MET . 75.5 mt -70.49 -37.31 74.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.243 0.544 . . . . 0.0 109.749 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.33 -30.83 71.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.472 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.1 p -69.03 -17.72 63.94 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -77.86 -14.58 59.52 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 59.23 24.82 13.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.335 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 65' ' ' GLU . 11.0 ptp180 -113.82 152.4 45.56 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.68 148.46 77.8 Favored 'Trans proline' 0 C--O 1.237 0.471 0 C-N-CA 122.298 1.999 . . . . 0.0 112.163 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -155.31 151.08 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 34.2 ttpt -104.19 120.83 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.863 178.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -102.21 109.95 21.77 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' ' 61' ' ' ASN . 13.2 pt-20 -123.61 128.69 50.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.414 . . . . 0.0 111.005 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -83.45 110.75 18.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.485 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 8.9 mmpt? -64.38 -67.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.145 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -178.89 164.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.802 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -99.37 146.34 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -50.98 153.89 1.68 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -63.85 -30.4 71.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.039 0.447 . . . . 0.0 110.369 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -84.68 0.43 50.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.76 22.99 12.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.812 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -82.01 -43.91 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CD1' HG21 ' A' ' 86' ' ' VAL . 36.2 m-85 -118.44 139.9 50.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.653 -177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -107.92 117.68 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -93.37 112.44 24.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.351 -174.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.57 166.19 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.171 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t30 -141.33 126.31 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.383 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 84.2 t -101.59 119.93 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.7 m -112.96 106.19 14.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.63 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.7 ptm -134.58 161.19 35.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.588 0.232 . . . . 0.0 110.898 -175.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' HH11 ' A' ' 42' ' ' ARG . 36.6 mt-10 -74.97 138.55 42.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.057 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.3 126.95 68.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.59 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 27.8 t -88.51 -30.87 19.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.335 0.588 . . . . 0.0 109.602 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.0 p30 -139.45 178.36 7.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.556 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.84 -24.71 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.459 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.493 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 24.4 t -59.64 -37.76 79.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.76 -46.37 82.42 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.833 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -54.0 -37.26 63.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -74.2 -47.75 33.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.02 -49.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.364 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.63 HD13 ' SD ' ' A' ' 64' ' ' MET . 70.3 mt -56.15 -43.41 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -55.33 -40.41 71.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.412 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -71.07 -42.25 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.492 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.539 ' HB3' HD22 ' A' ' 36' ' ' LEU . 71.2 mmtt -55.37 -43.89 75.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.584 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.4 mt -59.33 -29.27 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.44 ' HA ' HG11 ' A' ' 85' ' ' VAL . 42.1 t -73.95 -29.81 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.966 0.412 . . . . 0.0 110.699 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -70.14 3.7 2.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.329 -172.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 12.1 mt -83.28 -26.29 30.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.513 -0.117 . . . . 0.0 110.746 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.7 t70 71.92 -35.18 0.32 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.771 0.67 . . . . 0.0 111.391 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 20.2 mttp -69.7 -10.17 57.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.432 0.693 . . . . 0.0 111.604 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.4 p -89.73 132.31 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.457 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 57' ' ' PHE . 32.6 m -99.99 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -161.22 142.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.863 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 t -141.82 140.37 32.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? -121.15 105.94 11.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.819 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.79 41.11 2.22 Favored Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.592 -177.197 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.9 -33.44 46.07 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -127.18 151.1 49.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.497 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 22.0 ptp -130.32 162.56 53.6 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 27.2 Cg_endo -61.31 -179.64 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.075 1.85 . . . . 0.0 111.874 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 p -63.9 84.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.32 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.09 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.476 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -108.22 24.43 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.29 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -67.47 139.26 57.04 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.264 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 10.3 mptt 58.15 77.08 0.42 Allowed Pre-proline 0 N--CA 1.47 0.528 0 O-C-N 123.402 0.439 . . . . 0.0 110.94 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.76 136.65 39.51 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.64 2.227 . . . . 0.0 112.121 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.7 m -68.94 110.79 4.59 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -86.85 129.08 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.483 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -90.55 127.13 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.16 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -111.28 150.2 41.69 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.441 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 72.2 Cg_endo -81.06 158.15 83.83 Favored 'Cis proline' 0 C--N 1.353 0.789 0 C-N-CA 123.661 -1.391 . . . . 0.0 112.81 -3.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -164.69 170.68 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.212 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -79.46 108.79 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -95.14 147.31 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.83 119.63 35.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -172.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -108.06 130.87 55.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.842 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.6 tpp180 -94.66 109.67 21.58 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -107.18 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.649 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -95.13 115.42 33.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.1 mtp -120.19 156.28 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.349 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 p -93.36 27.05 2.69 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.313 0.578 . . . . 0.0 110.745 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -155.75 157.83 37.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.206 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 56.0 mtmt -102.62 7.56 39.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 109.878 174.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -84.05 87.97 7.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.309 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -105.63 101.3 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.802 0.81 . . . . 0.0 110.85 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 47.5 t -138.34 -54.35 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.707 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -48.29 -36.58 14.44 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.938 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 82' ' ' LEU . 53.7 tp -61.44 -45.48 94.12 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.952 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 53.6 mtmt -72.17 -38.33 69.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -177.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 31' ' ' SER . 25.5 mm-40 -52.53 -50.84 62.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.145 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.81 -31.43 72.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.721 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 ' SD ' ' A' ' 64' ' ' MET . 82.4 mt -68.15 -39.35 82.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.143 0.497 . . . . 0.0 110.302 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.6 mt-10 -72.23 -20.13 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.821 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 p -61.3 -27.02 68.18 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.092 0.472 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 78.4 m-85 -78.97 -9.43 59.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.948 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 61.35 17.37 8.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.938 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 9.8 ptp180 -107.37 150.53 40.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.905 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.11 159.47 53.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.608 2.206 . . . . 0.0 112.356 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.31 151.34 24.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.258 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -111.44 112.92 25.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -105.02 124.99 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.135 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -141.9 143.34 33.25 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.264 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -88.38 109.97 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 30.7 mmtp -72.7 -66.18 0.7 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.716 -175.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -166.33 142.15 4.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.688 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -95.63 132.64 40.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -57.63 157.29 7.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -57.36 -30.34 64.77 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -68.26 -19.24 64.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.977 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.35 13.88 9.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.247 0.619 . . . . 0.0 111.341 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -93.24 -28.75 16.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.344 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.99 107.32 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -98.37 118.87 36.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.675 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -95.12 115.97 28.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.976 0.417 . . . . 0.0 111.526 -176.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.42 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 97.8 m-85 -103.99 164.41 11.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.44 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.596 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 t30 -132.49 125.75 31.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.134 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.66 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -118.27 107.53 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.541 ' SD ' HD22 ' A' ' 37' ' ' LEU . 18.7 ptm -135.76 151.04 49.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 -172.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.603 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.5 mt-10 -73.95 116.27 14.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.464 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.1 m -97.85 126.75 50.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.55 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 16.9 m -64.63 -40.13 94.92 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 35.0 p-10 -163.35 -175.26 4.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.675 -176.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.39 -44.29 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.73 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -53.1 -51.62 61.3 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.213 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 68' ' ' ASN . 18.2 mm-40 -59.03 -44.32 91.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.516 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -30.54 69.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.403 -174.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -88.67 -43.03 11.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.44 -52.72 64.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.188 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.7 mt -55.97 -40.79 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.661 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.09 -49.68 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.12 -35.66 75.74 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.925 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -70.25 -37.96 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.813 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 70.2 mt -64.72 -29.98 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.565 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.8 p -85.15 8.66 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -92.63 -2.37 56.15 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -66.19 -24.84 66.7 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.286 -174.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.0 t70 73.71 -37.18 0.36 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.64 0.588 . . . . 0.0 110.705 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 82' ' ' LEU . 72.0 mttt -70.78 -21.22 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.971 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.8 p -78.11 135.53 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.356 -178.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.1 p -106.63 -25.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 -176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -158.81 123.56 4.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.792 0.33 . . . . 0.0 110.961 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 p -110.36 127.83 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -116.47 126.48 53.45 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.52 -45.98 2.85 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.254 1.304 0 CA-C-O 118.755 -0.641 . . . . 0.0 110.222 179.319 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 4.3 Cg_exo -78.27 156.86 93.9 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 124.272 -1.137 . . . . 0.0 112.318 -0.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.7 t -166.3 159.22 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.253 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.03 124.28 23.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.015 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -111.64 143.75 42.01 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -106.68 127.08 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.9 135.66 54.46 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.833 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.9 tpp180 -102.84 118.59 37.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.427 HG12 ' HG3' ' A' ' 25' ' ' MET . 29.8 t -119.46 108.94 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 -175.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.94 110.04 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' HG12 ' A' ' 23' ' ' VAL . 68.0 mtm -119.83 157.68 28.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.781 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -93.56 19.66 8.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.689 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 84' ' ' LYS . 14.6 t -135.41 146.98 48.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.222 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -90.91 -11.67 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 171.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -85.98 79.01 9.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.456 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.425 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -89.0 100.82 13.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.555 0.693 . . . . 0.0 110.496 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -110.89 -67.99 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.713 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 m -46.6 -38.57 9.75 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.111 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 82' ' ' LEU . 61.1 tp -59.89 -48.36 82.01 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.838 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 51.0 mtmt -74.88 -35.49 62.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 110.254 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -55.35 -50.97 68.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -60.68 -31.12 70.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.105 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 ' SD ' ' A' ' 64' ' ' MET . 60.5 mt -74.83 -44.78 47.38 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.181 0.515 . . . . 0.0 110.497 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 53.5 mt-10 -63.62 -26.16 68.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.114 -174.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.3 p -61.63 -26.02 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -75.77 -8.74 57.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.806 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.99 12.68 6.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.448 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -105.05 156.32 36.28 Favored Pre-proline 0 C--O 1.236 0.375 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.41 162.89 40.9 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.3 2.0 . . . . 0.0 111.849 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.09 153.44 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.99 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -99.35 123.45 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.764 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.7 119.24 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 62.9 mm-40 -128.25 155.23 44.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 0.0 111.295 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -118.64 116.97 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -85.53 -60.53 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.552 0.215 . . . . 0.0 111.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -167.57 167.72 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.27 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -131.42 147.94 52.61 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -56.75 165.12 1.27 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -65.45 -17.91 64.91 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -173.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -101.0 5.09 42.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.307 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.05 26.37 13.49 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.292 0.568 . . . . 0.0 110.586 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -87.43 -40.33 14.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.532 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CD1' HG21 ' A' ' 86' ' ' VAL . 61.2 m-85 -113.76 122.52 47.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.877 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -105.1 118.46 36.6 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -87.07 111.98 21.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.309 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.76 148.55 26.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.274 0.559 . . . . 0.0 110.332 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -116.86 122.05 43.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.64 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -118.42 136.26 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.85 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -139.6 121.07 15.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.6 ptm -141.91 155.67 45.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.663 0.268 . . . . 0.0 110.769 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.07 120.07 20.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.12 128.24 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 29.7 t -87.51 -18.73 29.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.689 0.28 . . . . 0.0 110.865 -176.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.51 178.7 9.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 0.0 110.725 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.64 -28.91 51.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.781 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.4 t -63.04 -47.09 84.5 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 52.9 mt-10 -56.94 -46.48 82.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.987 0.422 . . . . 0.0 110.183 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.24 -34.82 61.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 41.2 m-80 -83.81 -48.41 10.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.439 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 11.6 pt-20 -60.25 -43.62 95.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 -174.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.566 HD13 ' SD ' ' A' ' 64' ' ' MET . 71.6 mt -60.01 -43.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.57 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.1 mt-30 -72.33 -35.04 68.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.026 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 79.2 mttt -67.59 -33.69 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.257 0.551 . . . . 0.0 109.69 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 72.3 mt -62.14 -29.79 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.139 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -87.1 -4.81 59.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.028 -0.42 . . . . 0.0 111.332 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 26.0 mt-30 -93.44 3.46 55.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.12 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 18.9 mt -71.14 -34.58 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.649 0.262 . . . . 0.0 110.485 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 27.2 t70 77.33 -36.64 0.24 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.786 0.834 . . . . 0.0 111.066 -175.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HG2' HG21 ' A' ' 27' ' ' THR . 3.0 mptp? -62.07 -25.86 67.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.615 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 p -76.69 131.6 34.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 57' ' ' PHE . 34.3 m -102.7 -19.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -156.57 118.67 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.584 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.407 HG22 HG22 ' A' ' 79' ' ' ILE . 60.0 p -98.31 133.23 43.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.8 mm? . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -85.34 145.34 39.74 Favored 'Cis proline' 0 C--N 1.349 0.598 0 C-N-CA 124.136 -1.193 . . . . 0.0 112.354 -1.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -150.12 163.64 37.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.895 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.88 103.3 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 37.7 t-105 -88.53 143.8 26.74 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -107.64 132.94 52.77 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.203 0.525 . . . . 0.0 111.564 -174.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.452 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 82.7 m-85 -122.14 131.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.424 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.837 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.5 tpt180 -93.06 110.31 21.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.8 t -111.29 118.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.7 mt -110.27 109.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.472 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 39.7 mtm -117.07 149.36 40.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.301 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -86.72 42.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.594 HG21 ' HE3' ' A' ' 84' ' ' LYS . 10.1 t -162.51 158.24 23.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.311 -176.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -104.32 -2.48 25.48 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 171.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.94 79.94 7.52 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.578 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -86.88 101.63 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 17.9 m -130.58 -62.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.386 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.1 m -59.96 -34.94 73.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.5 tp -54.72 -48.36 72.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.698 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HE2' ' O ' ' A' ' 30' ' ' THR . 50.6 mtmt -70.05 -36.33 74.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.81 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 31' ' ' SER . 23.5 mm-40 -54.51 -49.46 70.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.108 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.5 pp -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.071 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD22 ' SD ' ' A' ' 64' ' ' MET . 87.7 mt -70.89 -34.03 71.16 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.012 0.434 . . . . 0.0 110.293 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.34 -26.41 60.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.936 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.5 p -61.93 -15.95 47.13 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.753 0.311 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 97.3 m-85 -92.39 -14.15 29.06 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.263 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.01 33.22 22.96 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.604 0.361 . . . . 0.0 111.583 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.522 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.7 ptp180 -124.03 150.56 63.34 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.85 147.83 75.6 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.301 2.001 . . . . 0.0 112.319 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -144.43 146.35 32.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.816 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -101.44 104.19 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.9 122.86 42.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.92 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -145.0 156.16 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.29 0.369 . . . . 0.0 110.721 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -94.55 116.54 28.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.966 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 61' ' ' ASN . 72.9 mmtt -69.3 -81.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -157.65 176.58 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.257 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 13.2 t -132.69 146.06 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 33.1 m -64.96 175.67 1.46 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.7 -50.25 73.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -85.94 8.1 21.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.624 0.249 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.85 19.95 8.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.234 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 72.2 m-85 -113.01 125.36 54.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.039 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -113.37 121.12 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.625 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -92.27 121.2 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -108.99 162.42 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.49 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 2.3 t30 -114.76 122.46 46.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.563 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.08 118.21 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 174.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 16.5 m -129.72 108.16 9.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.549 ' SD ' HD13 ' A' ' 75' ' ' ILE . 22.5 ptm -136.74 150.65 48.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.626 0.25 . . . . 0.0 110.8 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 126.32 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.12 131.07 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 13.5 m -75.31 -30.19 60.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.32 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -170.95 -178.46 2.5 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.924 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 73' ' ' ASN . 37.6 tt0 -61.61 -30.66 70.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.057 -174.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 m -57.21 -38.99 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.805 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.43 -31.18 57.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.292 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 2.5 tmt_? -56.92 -42.51 80.13 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 43.6 m-80 -70.68 -45.92 64.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 39.8 tt0 -61.25 -55.85 27.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' SD ' ' A' ' 64' ' ' MET . 76.3 mt -58.1 -41.35 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.501 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -53.62 -45.09 69.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.409 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.25 -39.19 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.6 mmtp -59.42 -43.21 93.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 78.2 mt -62.01 -29.71 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.68 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -79.21 -11.92 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.347 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.84 -5.71 57.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.413 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -72.37 -37.49 68.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.115 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 72.95 -33.2 0.26 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.832 0.853 . . . . 0.0 111.365 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.594 ' HE3' HG21 ' A' ' 27' ' ' THR . 15.8 mtpp -59.87 -21.55 61.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.359 0.6 . . . . 0.0 109.681 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -84.01 129.39 37.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.739 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.17 -15.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.246 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' HD11 ' A' ' 89' ' ' LEU . 6.6 tp-100 -151.86 128.04 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 p -119.21 115.79 24.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.594 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.06 150.35 73.34 Favored 'Cis proline' 0 C--N 1.353 0.813 0 C-N-CA 124.635 -0.986 . . . . 0.0 112.485 0.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 p -155.94 160.79 40.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.09 103.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -94.53 147.43 23.27 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.79 119.36 38.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 96.9 m-85 -105.0 147.49 27.75 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.89 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.1 tpp85 -125.86 113.96 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -115.64 110.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 70.9 mt -100.88 108.04 22.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 65.1 mtm -111.07 176.78 4.89 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -106.47 12.7 29.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.88 0.371 . . . . 0.0 111.434 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -141.8 158.86 43.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.427 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.5 -6.37 58.92 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.13 82.54 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.294 0.569 . . . . 0.0 109.903 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -95.04 100.08 11.97 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.567 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 22.9 t -146.47 -53.59 0.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.366 -175.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.8 m -59.9 -31.15 69.54 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.764 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.7 -44.61 93.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.253 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 50.9 mtmt -70.58 -33.81 71.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.411 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -50.88 -48.62 60.24 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -69.84 -30.43 67.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.9 mt -72.56 -39.03 67.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-10 -67.75 -22.48 65.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.723 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -61.45 -30.12 70.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 110.527 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -79.96 -22.2 42.89 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.24 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 58.27 21.44 8.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.233 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 6.1 ptp180 -97.74 155.52 37.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.27 138.71 62.29 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.395 2.063 . . . . 0.0 112.259 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -148.91 151.94 35.53 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' ' OG ' ' A' ' 63' ' ' SER . 37.6 ttpt -105.26 117.68 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.353 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.86 112.41 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -129.83 156.25 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -173.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 91.3 t80 -124.77 114.49 19.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.223 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.2 mmpt? -83.96 -64.9 1.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -158.91 158.3 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.568 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.428 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 6.8 t -121.96 145.56 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.4 t -55.86 159.07 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.505 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 2.5 mmmp? -56.89 -32.31 65.75 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.009 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -85.27 -8.03 58.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.816 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.58 18.58 8.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.132 -176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -87.26 -33.71 19.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -113.39 135.92 53.34 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -121.9 125.47 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.954 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -91.32 112.45 24.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.114 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 86.2 m-85 -104.48 156.42 17.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.874 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -131.44 129.21 40.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.1 -175.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.563 ' N ' HD22 ' A' ' 61' ' ' ASN . 96.5 t -129.95 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.195 177.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.493 ' OG ' ' HE2' ' A' ' 45' ' ' LYS . 20.5 p -111.95 122.12 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.422 ' SD ' HD22 ' A' ' 37' ' ' LEU . 22.1 ptm -143.93 146.52 33.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.394 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.7 mt-10 -73.0 107.88 5.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.495 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -90.02 127.87 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.347 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.3 t -61.35 -35.64 78.0 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -161.22 -173.77 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 44.7 tt0 -72.35 -38.38 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.077 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -59.62 -32.82 70.78 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.245 -0.284 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.31 -56.36 19.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 9.3 ptm180 -63.35 -14.42 49.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.846 -173.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.12 -41.32 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.714 0.292 . . . . 0.0 110.569 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 10.3 pt-20 -69.11 -45.74 69.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.929 0.395 . . . . 0.0 110.165 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 mt -60.67 -40.04 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.87 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -54.66 -39.42 68.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.761 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -73.1 -39.7 65.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.574 ' HB2' HD13 ' A' ' 36' ' ' LEU . 78.5 mttt -63.78 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.086 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 81.4 mt -63.65 -29.83 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.361 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG11 ' A' ' 85' ' ' VAL . 51.5 p -85.9 8.7 19.24 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.876 -0.515 . . . . 0.0 111.595 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.69 1.48 56.79 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.323 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.4 mt -76.92 -23.43 52.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.5 0.191 . . . . 0.0 110.534 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 t70 73.42 -40.09 0.46 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.942 0.776 . . . . 0.0 111.184 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -75.09 -6.87 51.81 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.136 0.575 . . . . 0.0 111.603 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.5 p -89.37 132.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.02 -28.05 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.46 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 53.9 tp60 -142.16 118.77 11.01 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.027 0.442 . . . . 0.0 110.902 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 79' ' ' ILE . 32.1 p -104.96 126.8 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.474 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.87 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' SER . 73.2 m-85 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.95 160.22 95.09 Favored 'Cis proline' 0 C--N 1.351 0.696 0 C-N-CA 124.345 -1.106 . . . . 0.0 111.991 -0.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.8 t -163.59 160.8 23.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.458 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -75.52 110.68 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -93.57 141.48 28.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.37 132.75 50.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.536 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -124.32 142.94 50.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.546 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 2.4 tpp180 -110.68 111.24 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 25' ' ' MET . 41.4 t -104.89 106.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.434 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.2 mt -96.9 108.08 20.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.001 0.429 . . . . 0.0 110.237 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' HG12 ' A' ' 23' ' ' VAL . 77.9 mtp -116.57 145.4 43.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.882 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 16.9 p -82.44 -5.97 59.01 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -112.99 155.63 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -97.67 1.29 48.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.49 84.02 4.66 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 t -89.53 99.59 12.56 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.695 0.76 . . . . 0.0 109.338 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 p -137.65 -63.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.457 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -31.61 37.54 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.501 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.08 -40.32 97.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -69.24 -42.07 76.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.898 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.05 -51.54 52.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.369 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 HD21 ' A' ' 82' ' ' LEU . 3.3 pp -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.635 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.76 -40.83 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.316 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.39 -19.2 63.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.084 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -62.78 -25.53 68.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 43.9 m-85 -81.69 -4.28 55.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.662 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.45 29.86 18.88 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.259 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 10.3 ptp180 -127.71 155.88 76.5 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.561 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.41 156.39 64.38 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.473 2.115 . . . . 0.0 112.037 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.51 153.5 34.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 37.7 ttpt -107.23 106.92 17.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -108.9 106.59 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 63.1 mm-40 -119.52 154.99 32.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.147 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -96.79 117.56 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 70.2 mmtt -76.85 -80.11 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.15 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -146.92 178.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.2 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.426 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 10.2 t -141.45 145.61 35.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.901 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -70.28 173.21 7.03 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -52.56 -53.41 46.76 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.218 0.607 . . . . 0.0 111.906 -175.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -91.74 13.88 16.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.114 0.483 . . . . 0.0 110.006 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.06 7.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.16 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 26' ' ' THR . 24.6 ttmm -65.33 -34.9 79.41 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -118.63 111.27 18.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.739 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -93.0 119.04 31.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.0 m -92.42 112.48 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.381 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -104.78 154.97 19.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.41 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.6 t30 -121.28 122.59 40.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.42 119.06 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 7.8 m -121.22 112.76 19.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.525 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.0 ptm -136.18 161.67 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 111.03 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -75.9 122.45 24.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.747 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 m -108.0 134.72 48.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 37.1 t -72.6 -51.89 17.78 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.04 -161.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.242 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 31.3 tt0 -71.46 -20.52 62.08 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.674 0.273 . . . . 0.0 111.652 -174.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -62.9 -42.85 99.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.962 0.411 . . . . 0.0 110.66 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 20.2 mp0 -64.19 -48.59 75.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -60.02 -15.46 22.83 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -174.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -93.76 -45.4 7.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.854 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 8.2 pt-20 -64.6 -43.78 92.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.933 0.396 . . . . 0.0 110.421 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.525 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.5 mt -63.36 -36.23 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.287 -178.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.0 -36.73 73.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.035 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.32 -39.2 54.71 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.852 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.9 mmtp -55.21 -41.38 71.96 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.214 0.53 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.6 mt -61.33 -29.26 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.17 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -78.61 -20.36 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.53 -5.98 32.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.715 -175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.9 mt -80.85 -21.43 40.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.99 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.2 t70 71.93 -38.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.226 0.61 . . . . 0.0 111.309 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 82' ' ' LEU . 82.5 mttt -61.1 -28.79 69.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.635 0.774 . . . . 0.0 112.037 -178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.0 p -78.1 135.88 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.664 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.19 -30.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.795 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.552 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.8 tt0 -138.42 115.18 10.69 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -102.34 123.01 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.515 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.734 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.1 mp . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -77.88 167.7 77.93 Favored 'Cis proline' 0 C--N 1.352 0.724 0 C-N-CA 124.178 -1.176 . . . . 0.0 112.421 0.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 t -161.82 153.35 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.487 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.46 102.62 3.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.197 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -92.37 132.46 36.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.07 137.34 37.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.07 0.462 . . . . 0.0 110.972 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -125.7 115.61 20.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 7.4 tpp180 -79.15 109.7 13.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.94 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.65 111.44 29.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.13 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' HD12 ' A' ' 82' ' ' LEU . 52.7 mtm -121.86 160.64 24.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.341 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -94.45 29.05 2.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.724 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 84' ' ' LYS . 12.3 t -149.9 143.51 25.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.848 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -88.56 -11.7 44.87 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.18 79.42 6.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.907 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -90.15 107.5 19.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 31.4 p -124.76 -66.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.575 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -53.02 -33.33 51.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.074 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.3 tp -58.88 -43.21 90.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.473 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -75.48 -41.76 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.244 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 31' ' ' SER . 69.2 mm-40 -56.36 -47.53 78.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.054 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pp -62.73 -32.1 73.16 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.357 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD22 ' SD ' ' A' ' 64' ' ' MET . 85.4 mt -69.0 -40.78 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 109.993 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.43 -19.87 63.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.88 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 35' ' ' GLU . 36.1 p -64.26 -18.12 64.26 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.703 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -92.05 -7.3 49.16 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.007 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 65.32 -3.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.895 0.878 . . . . 0.0 112.715 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -88.44 152.3 49.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.67 160.07 51.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 112.774 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.59 160.3 42.39 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.074 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -117.44 111.43 19.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.333 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.43 118.32 26.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.817 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 18.3 mm-40 -120.42 124.01 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -102.6 108.12 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -86.26 -67.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.966 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -149.27 142.32 24.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 111.491 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -100.65 145.56 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 44.0 m -56.88 158.04 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.61 0.243 . . . . 0.0 111.182 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -54.97 -39.46 68.99 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.462 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -99.46 15.71 25.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.065 0.459 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.46 17.91 8.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.451 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.57 -49.62 62.3 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.711 0.291 . . . . 0.0 111.059 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.428 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 70.3 m-85 -112.78 151.84 29.86 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.078 0.466 . . . . 0.0 110.243 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.34 116.96 22.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -90.37 112.28 23.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.233 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.7 165.42 11.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.118 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 4.0 t30 -142.77 122.31 13.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.282 177.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.19 119.36 56.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -115.55 110.83 19.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.719 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.2 ptm -143.04 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.324 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.21 139.15 41.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.462 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.92 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.5 t -82.28 -31.29 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.665 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.06 177.06 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 112.101 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -60.77 -45.46 94.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.711 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -57.87 -41.21 82.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.73 -52.43 57.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.498 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 72' ' ' ARG . 13.0 ptt180 -56.33 -34.93 67.04 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 -173.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.65 -37.8 26.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 24.4 tt0 -62.25 -47.12 85.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.317 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.0 mt -59.45 -40.81 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.373 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.96 -44.5 82.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.062 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.5 mt-30 -65.59 -42.98 91.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.54 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -55.56 -45.32 77.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.461 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.616 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.3 mt -62.37 -28.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.572 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.6 t -76.89 -17.31 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.8 mt-30 -85.71 -0.56 55.51 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.9 mt -73.99 -17.17 61.03 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.942 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 13.4 t70 74.38 -27.48 0.19 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.117 0.567 . . . . 0.0 111.693 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 27' ' ' THR . 31.5 mttm -89.42 -3.25 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.034 0.534 . . . . 0.0 111.741 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 80' ' ' SER . 10.1 p -89.98 147.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.38 -23.06 2.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.468 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -160.26 137.93 9.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.737 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 11.5 p -141.4 115.76 9.46 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.0 mp . . . . . 0 C--N 1.331 -0.216 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 C--O 1.235 0.315 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.498 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -76.08 155.82 98.61 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 124.15 -1.187 . . . . 0.0 112.947 -0.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 45.6 t -170.36 176.91 4.29 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.32 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 69.9 mt -86.26 134.3 33.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 110.747 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.0 t-105 -125.71 129.83 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.696 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 119.02 29.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.927 0.394 . . . . 0.0 111.444 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.6 m-85 -99.06 144.7 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.662 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.769 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.1 tpp85 -109.26 113.52 26.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 25' ' ' MET . 21.7 t -112.44 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.741 -174.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.85 105.54 17.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.171 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 71.6 mtp -107.24 170.42 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.138 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -101.09 12.2 38.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.15 0.5 . . . . 0.0 110.61 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.498 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.1 t -150.91 163.89 37.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.779 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 50.3 mtmt -99.21 4.27 46.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.967 0.413 . . . . 0.0 110.143 173.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -79.28 79.8 5.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.4 t -98.2 100.57 11.88 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.628 0.728 . . . . 0.0 109.74 177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 22.7 t -126.39 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.561 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.517 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.6 m -50.59 -36.27 34.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.7 tp -58.19 -43.23 87.43 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.839 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.2 mtmt -75.41 -37.92 60.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 31' ' ' SER . 67.1 mt-10 -61.55 -44.48 96.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.026 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.0 pp -61.95 -30.53 70.98 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 34' ' ' LYS . 56.9 mt -69.61 -43.09 73.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.023 0.439 . . . . 0.0 109.828 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.08 -31.43 70.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.646 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 p -59.41 -28.02 66.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.348 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.578 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 94.1 m-85 -80.37 -4.16 52.46 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.813 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 59.78 21.85 10.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.783 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -121.34 151.42 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.61 150.19 88.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.547 2.164 . . . . 0.0 112.485 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -138.18 163.08 32.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.419 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 3.6 tmmm? -118.65 114.46 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -103.4 107.02 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.64 132.29 55.04 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -96.39 117.15 30.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -75.33 -70.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.806 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -174.59 165.24 3.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -94.92 145.38 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.18 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -64.19 162.16 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 4.7 ttmp? -65.93 -31.28 72.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 110.508 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -74.67 -11.62 60.23 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 10.31 6.4 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.281 0.633 . . . . 0.0 112.195 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -87.81 -27.4 22.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.559 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -118.89 119.47 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.94 125.87 50.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.785 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t -95.28 118.97 32.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.943 0.401 . . . . 0.0 111.313 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 96.2 m-85 -111.66 155.38 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.945 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.432 HD22 ' HE3' ' A' ' 45' ' ' LYS . 11.9 t30 -133.59 121.73 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 72.3 t -122.94 119.52 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.803 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.585 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 80.0 p -114.38 133.69 55.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.539 ' SD ' HG21 ' A' ' 75' ' ' ILE . 24.8 ptm -142.6 164.74 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 52.0 mt-10 -70.63 115.61 9.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 m -98.29 126.25 51.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . 18.0 m -75.92 -36.83 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.076 0.465 . . . . 0.0 110.524 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.58 178.56 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.958 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 43.9 tt0 -58.13 -44.57 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.191 -174.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -57.4 -35.74 70.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.539 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 33.4 mm-40 -64.49 -50.45 67.39 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.665 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.7 ptt180 -59.9 -31.07 69.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.103 -176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.1 m-20 -66.28 -57.29 7.84 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.666 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 32.4 tt0 -55.25 -50.56 69.17 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.163 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' SD ' ' A' ' 64' ' ' MET . 78.8 mt -56.81 -43.08 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.48 -41.61 85.65 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.335 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 46.2 mt-30 -67.86 -39.38 83.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.47 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.3 mmtp -58.37 -41.79 85.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.312 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.7 mt -59.8 -30.83 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.222 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.1 p -80.75 -10.12 59.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.144 -0.347 . . . . 0.0 111.783 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.11 7.85 5.64 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -82.67 -26.18 32.34 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 72.37 -39.45 0.45 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.612 0.765 . . . . 0.0 111.353 -175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HD3' HG21 ' A' ' 27' ' ' THR . 13.3 ptpt -75.09 8.07 2.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.713 0.405 . . . . 0.0 111.252 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -109.24 131.83 58.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.7 m -99.13 -35.43 4.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -140.18 133.11 29.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.942 0.401 . . . . 0.0 110.809 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.7 p -123.18 116.32 23.22 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.982 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.769 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mp . . . . . 0 C--O 1.235 0.311 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.3 Cg_exo -78.18 157.82 93.85 Favored 'Cis proline' 0 C--N 1.353 0.796 0 C-N-CA 124.26 -1.142 . . . . 0.0 112.664 1.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -165.75 158.67 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.148 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -74.29 142.32 45.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.99 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -130.07 137.94 50.47 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.99 129.88 45.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.28 0.363 . . . . 0.0 110.503 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 73.5 m-85 -117.33 119.49 35.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.865 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.672 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 16.1 tpt180 -83.47 109.73 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG22 HG21 ' A' ' 79' ' ' ILE . 39.1 t -116.09 111.56 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.353 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 60.4 mt -107.15 112.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.4 mtm -116.95 162.76 17.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.1 p -92.31 14.29 16.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.356 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -144.37 153.27 41.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 111.226 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 3.7 mmmp? -82.22 -9.84 59.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.094 173.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -76.2 79.31 3.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.285 0.564 . . . . 0.0 109.897 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 t -87.51 99.21 11.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.1 p -130.51 -66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.6 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -48.83 -36.53 17.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.738 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.9 tp -61.07 -48.89 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.892 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 mtmt -74.86 -31.05 61.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 mm-40 -55.58 -51.15 68.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.6 pp -62.21 -30.31 71.0 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.097 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD22 ' SD ' ' A' ' 64' ' ' MET . 55.8 mt -72.79 -44.61 61.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.223 0.535 . . . . 0.0 110.418 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -67.22 -23.11 65.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.818 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 35' ' ' GLU . 77.0 p -65.63 -16.91 64.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 111.218 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -85.16 -10.15 57.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.542 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 61.85 12.41 4.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.603 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 5.1 ptp180 -99.9 155.25 36.66 Favored Pre-proline 0 C--O 1.235 0.292 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.24 146.06 39.88 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.072 . . . . 0.0 111.748 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -142.59 151.77 41.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.366 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 63' ' ' SER . 35.9 ttpt -103.75 110.07 22.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.764 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -93.13 122.7 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 46.8 mt-10 -124.63 139.69 53.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.654 0.264 . . . . 0.0 111.607 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -98.65 108.14 20.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.4 mmpt? -78.64 -65.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.961 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -163.83 161.43 23.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.322 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -119.8 146.85 45.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.759 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.473 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 15.1 m -56.45 160.37 3.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.298 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -65.55 -26.49 67.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.06 0.457 . . . . 0.0 110.246 -178.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.95 -12.17 60.57 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.69 20.83 10.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.058 0.543 . . . . 0.0 111.621 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -98.02 -28.96 13.54 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 65.1 m-85 -113.1 135.36 53.89 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -122.25 122.28 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -93.0 113.32 25.57 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.43 154.62 20.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.743 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.68 122.36 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.0 t -107.36 119.73 57.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.381 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 15.6 m -111.83 107.98 17.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' HD22 ' A' ' 37' ' ' LEU . 26.8 ptm -131.67 163.05 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 30.2 mt-10 -76.95 150.02 35.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 72' ' ' ARG . 15.3 m -135.76 126.76 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 19.5 t -87.35 -20.69 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.367 . . . . 0.0 110.297 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.9 p30 -146.64 179.99 7.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HG3' ' NE ' ' A' ' 72' ' ' ARG . 33.4 tt0 -79.26 -30.65 43.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.853 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.446 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 27.7 m -60.71 -40.35 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.415 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 33.6 mt-10 -57.8 -55.05 39.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.152 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 6.6 ppt_? -63.87 -13.48 45.44 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -95.68 -40.55 9.33 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.957 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -70.67 -44.17 67.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.845 0.355 . . . . 0.0 110.29 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.56 HD13 ' SD ' ' A' ' 64' ' ' MET . 67.3 mt -56.26 -43.41 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.377 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.63 -38.51 69.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.585 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.21 -37.4 66.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.418 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 78.8 mttt -67.08 -34.99 78.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.927 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -62.47 -28.49 44.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.606 176.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 m -79.56 -1.15 36.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.295 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.72 1.07 48.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 1.6 mt -73.73 -24.84 59.96 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.533 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 32.1 t70 73.16 -37.0 0.37 Allowed 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.779 0.674 . . . . 0.0 111.162 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 82' ' ' LEU . 70.0 mttt -71.08 -14.41 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.265 0.626 . . . . 0.0 111.078 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.79 136.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.636 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.75 -12.34 11.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.568 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.1 tp60 -156.56 137.05 13.09 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.183 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.0 p -138.87 121.79 16.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.3 mp . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 C--O 1.235 0.296 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 8.6 Cg_exo -74.09 152.87 98.78 Favored 'Cis proline' 0 C--N 1.351 0.674 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.528 -1.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -161.51 161.11 29.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.3 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.7 106.66 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -91.8 147.74 22.76 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.87 138.62 39.52 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 85.2 m-85 -132.81 106.95 8.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.297 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.819 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.2 tpp180 -83.35 110.74 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 79' ' ' ILE . 36.3 t -108.89 117.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -173.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -109.31 111.38 35.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 110.4 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 42.9 mtm -118.74 163.7 16.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.519 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -98.1 20.68 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 84' ' ' LYS . 9.3 t -147.37 154.36 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.464 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -90.2 -11.63 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.715 174.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.9 79.37 3.47 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -97.31 100.64 12.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.705 0.764 . . . . 0.0 110.097 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 30.9 t -123.39 -64.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.661 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -50.29 -31.51 14.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.6 tp -59.29 -43.66 92.55 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.367 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 8.8 mtmp? -73.62 -43.43 59.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.035 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' THR . 12.3 mm-40 -55.44 -46.37 76.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.97 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.03 -32.16 73.46 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' SD ' ' A' ' 64' ' ' MET . 49.1 mt -71.32 -41.76 69.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 109.663 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.64 -22.67 63.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.027 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -63.21 -31.35 72.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 110.504 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.517 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 95.4 m-85 -74.01 -9.8 59.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.346 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 60.41 19.33 8.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 12.1 ptp180 -112.0 149.9 41.59 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.31 138.78 68.09 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.427 2.085 . . . . 0.0 112.342 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -131.94 154.41 49.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 26.4 tttm -107.37 107.82 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.958 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 tp -95.5 126.96 41.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.356 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 54.7 mm-40 -126.21 130.96 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -111.4 108.97 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.26 -65.08 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.123 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -176.71 164.43 2.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -84.37 145.56 28.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.198 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -65.75 163.6 16.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.345 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 10.3 tmtt? -57.99 -34.52 70.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.188 0.518 . . . . 0.0 109.665 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.25 -38.32 0.39 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.701 0.8 . . . . 0.0 112.408 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -57.45 -21.08 34.73 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.824 0.449 . . . . 0.0 111.66 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -113.45 143.17 44.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -128.65 131.44 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.542 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.4 m -92.81 111.54 23.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.107 0.48 . . . . 0.0 111.205 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.54 164.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.5 t30 -150.82 135.67 17.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.9 140.61 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 11.1 m -134.09 107.31 7.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 75' ' ' ILE . 26.8 ptm -130.95 156.66 44.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.752 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.51 119.92 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.779 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 75' ' ' ILE . 27.7 m -106.82 128.09 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 15.7 m -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.406 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.8 p30 -166.13 -175.71 3.43 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 37.4 tt0 -58.91 -41.11 86.49 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.114 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.4 m -56.59 -41.59 77.25 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.464 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 67' ' ' SER . 35.2 mm-40 -61.0 -56.12 24.82 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.554 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.6 ptt180 -55.97 -34.29 65.57 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 -174.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -75.26 -40.32 58.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.1 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 5.8 pt-20 -71.75 -42.69 66.93 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.177 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.623 HG21 ' SD ' ' A' ' 64' ' ' MET . 73.7 mt -64.55 -40.01 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.679 -178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -52.59 -41.01 63.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.234 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 46.2 mt-30 -73.83 -39.07 64.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -53.98 -43.09 69.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.322 0.582 . . . . 0.0 109.723 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.2 mt -65.84 -28.76 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.259 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.0 t -75.68 -19.62 59.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.853 0.359 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 23.0 mt-30 -80.71 1.61 29.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.5 mt -74.37 -20.55 60.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.802 -176.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 74.24 -34.62 0.28 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.705 0.628 . . . . 0.0 111.577 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.528 ' HE2' HG21 ' A' ' 27' ' ' THR . 25.1 mtpt -78.42 -9.16 59.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.731 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 8.5 p -91.06 139.49 17.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.4 -30.48 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.326 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.01 132.92 17.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.98 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 p -122.09 116.23 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.303 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp . . . . . 0 C--N 1.331 -0.237 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -82.02 166.58 70.99 Favored 'Cis proline' 0 C--N 1.35 0.634 0 C-N-CA 123.595 -1.419 . . . . 0.0 113.222 4.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.9 t -161.08 154.94 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.112 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.78 103.43 10.61 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.2 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -91.69 142.47 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.914 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.99 129.59 51.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.79 114.93 26.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.886 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.6 tpt180 -83.24 110.03 17.73 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 25' ' ' MET . 42.9 t -108.7 105.47 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.5 mt -100.7 104.71 16.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 53.1 mtm -113.92 161.9 17.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -88.83 -0.35 57.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 84' ' ' LYS . 13.5 t -130.33 153.86 48.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 51.1 mtmt -95.95 6.46 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.256 0.551 . . . . 0.0 109.713 173.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.34 75.74 2.44 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.216 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.463 HG21 HD21 ' A' ' 46' ' ' LEU . 4.8 t -87.21 99.25 11.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.919 0.866 . . . . 0.0 109.205 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -137.72 -59.75 0.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.866 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.5 m -52.55 -35.93 54.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.042 173.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.2 tp -63.84 -41.15 97.9 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.938 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 54.0 mtmt -72.07 -42.18 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.689 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' THR . 72.3 mm-40 -51.5 -49.05 62.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.6 pp -64.99 -32.65 74.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.579 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -72.23 -40.53 67.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.004 0.431 . . . . 0.0 110.688 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 43.7 mt-10 -70.76 -22.46 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.986 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.5 p -58.49 -32.07 68.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.1 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -78.6 -4.7 50.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.617 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 56.9 23.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.735 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 7.4 ptp180 -111.56 156.97 40.55 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.58 144.51 60.84 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.479 2.12 . . . . 0.0 112.37 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -147.62 155.96 42.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.984 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 85.2 tttt -115.68 123.07 47.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 HG21 ' A' ' 30' ' ' THR . 55.7 tp -103.26 116.05 31.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -125.95 149.54 48.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 111.778 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -105.38 110.3 22.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.0 mmpt? -82.95 -71.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.019 -175.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -142.57 176.86 8.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -147.25 145.14 29.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.805 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.3 t -61.35 158.92 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.783 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.67 -29.43 70.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.969 -178.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -89.01 -2.67 58.69 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.71 17.08 8.38 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.479 0.711 . . . . 0.0 112.337 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -77.21 -29.73 54.37 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.013 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -112.93 116.19 29.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.412 -175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -106.04 115.16 29.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -90.56 112.87 24.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-85 -104.73 161.05 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.928 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.48 122.45 20.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.66 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 86.5 t -115.92 119.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.226 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 69.8 p -107.26 111.44 23.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.554 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.4 ptm -139.47 162.84 34.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.277 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 38.6 mt-10 -77.43 148.82 35.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.69 126.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.3 t -89.53 -27.91 19.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.298 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.522 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -154.28 170.83 20.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.698 176.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.222 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.2 t -52.6 -39.77 61.98 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.129 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -76.08 -42.45 47.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.2 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HD2' ' O ' ' A' ' 72' ' ' ARG . 5.0 tmm_? -56.78 -34.77 67.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.048 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -82.93 -53.42 5.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.9 tt0 -53.85 -50.34 66.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -175.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 79' ' ' ILE . 84.5 mt -60.06 -43.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.372 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.53 -35.22 70.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.364 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -76.35 -38.75 55.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.583 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.0 mmtp -56.93 -43.85 81.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.267 0.555 . . . . 0.0 110.065 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.3 mt -63.46 -29.2 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.519 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.526 ' HA ' HG11 ' A' ' 85' ' ' VAL . 63.0 p -81.59 -17.34 48.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.105 -0.372 . . . . 0.0 111.411 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 24.7 mt-30 -78.75 1.56 22.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.651 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 7.7 mt -78.06 -26.5 48.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.535 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.9 t70 72.57 -32.13 0.24 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HB3' HG22 ' A' ' 27' ' ' THR . 79.2 mttt -66.6 -20.52 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.493 0.717 . . . . 0.0 110.843 176.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 80' ' ' SER . 13.5 p -88.49 141.69 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.996 -176.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.05 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.252 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -148.98 137.3 20.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.737 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -129.91 127.15 39.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.16 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.271 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 85.4 Cg_endo -85.08 160.38 64.9 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.564 -1.431 . . . . 0.0 113.286 0.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -162.39 158.33 23.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.251 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -73.34 110.36 7.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -91.96 134.36 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -95.72 118.66 32.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.325 . . . . 0.0 110.657 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -109.4 145.46 36.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.957 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.775 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 15.7 tpp85 -116.48 113.55 22.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HG3' ' A' ' 25' ' ' MET . 23.0 t -110.83 103.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -173.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 69.6 mt -92.54 105.18 16.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 0.0 110.115 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.527 ' HG3' HG12 ' A' ' 23' ' ' VAL . 82.0 mtp -108.0 153.53 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.437 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 p -93.29 21.18 6.26 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.129 0.49 . . . . 0.0 110.839 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 84' ' ' LYS . 15.4 t -155.65 146.77 22.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.4 mtmp? -89.08 -1.48 58.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.707 172.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -76.83 72.36 3.42 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.512 0.672 . . . . 0.0 109.334 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -87.07 124.9 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.108 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -145.17 -70.62 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.114 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.567 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.3 m -51.33 -32.82 26.77 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.4 tp -57.42 -45.81 84.22 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.966 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.03 -40.5 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -58.09 -43.92 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -65.27 -31.37 72.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 110.422 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.638 HD22 ' SD ' ' A' ' 64' ' ' MET . 61.2 mt -71.47 -40.41 70.28 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.337 0.589 . . . . 0.0 110.161 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -60.94 -27.11 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.918 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.9 p -61.81 -24.51 66.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -84.04 -7.65 59.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 57.34 27.46 13.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.567 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.5 ptp180 -119.15 153.46 53.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.725 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.01 155.09 57.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -147.85 156.87 43.17 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -101.28 117.74 35.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.617 177.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -109.31 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.051 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -138.91 155.52 48.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -103.48 128.63 50.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.513 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -81.87 -77.45 0.22 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -172.47 152.29 2.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.7 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.567 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -92.19 136.93 32.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.9 m -64.42 87.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.34 -176.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.688 ' HG3' ' H ' ' A' ' 54' ' ' ASN . 10.0 ptpp? 35.08 -71.23 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.334 1.454 . . . . 0.0 114.489 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.688 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 60.8 t30 -66.34 -9.75 36.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.932 0.493 . . . . 0.0 111.026 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 73.26 14.77 4.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.71 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -76.59 -28.75 56.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.55 137.13 54.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -117.01 116.52 27.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -90.01 114.87 26.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.054 0.454 . . . . 0.0 110.466 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 94.6 m-85 -104.9 159.51 15.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.679 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -131.32 122.56 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.029 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.21 118.87 57.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.149 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -111.82 107.15 16.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.665 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.0 ptm -129.31 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.405 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 32.5 mt-10 -70.56 143.21 51.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.12 126.94 67.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 167.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 t -96.54 -11.23 25.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.716 0.293 . . . . 0.0 110.431 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 7.8 p30 -159.7 179.44 8.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.253 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.25 -30.08 48.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.463 -173.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.445 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 34.4 t -59.12 -44.47 92.02 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.29 -42.33 98.47 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.354 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -54.31 -51.95 63.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 53.9 m-80 -72.23 -35.32 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.994 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 31.0 tt0 -66.3 -52.54 46.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.665 HD13 ' SD ' ' A' ' 64' ' ' MET . 89.6 mt -57.94 -41.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.844 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.84 -40.36 69.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 74.6 mt-30 -70.97 -43.44 68.08 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.474 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 35.6 mmtp -55.12 -43.31 73.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.185 0.517 . . . . 0.0 110.539 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.7 mt -60.79 -29.26 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.148 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -82.75 -3.03 55.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.612 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -93.19 1.14 57.24 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.2 mt -76.63 -23.34 53.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.071 -175.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.7 t70 73.24 -40.64 0.48 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.178 0.591 . . . . 0.0 110.527 -172.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 27' ' ' THR . 92.8 mttt -58.29 -28.4 64.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.305 0.642 . . . . 0.0 111.427 177.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 11.5 p -84.41 140.4 16.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.36 -27.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.876 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HG3' HD11 ' A' ' 89' ' ' LEU . 50.4 tp60 -141.14 122.54 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.2 p -112.68 127.44 56.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.337 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.3 mp . . . . . 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.409 ' OH ' ' HD3' ' A' ' 72' ' ' ARG . 96.4 m-85 . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.5 Cg_endo -75.14 157.8 99.23 Favored 'Cis proline' 0 C--N 1.354 0.861 0 C-N-CA 123.926 -1.281 . . . . 0.0 113.339 0.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -171.06 163.34 7.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.91 138.2 39.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.431 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -120.88 139.19 53.54 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.15 119.19 32.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.649 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -110.75 138.46 47.12 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.739 0.416 . . . . 0.0 110.56 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.3 tpp180 -111.16 110.94 21.68 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 26.3 t -113.91 108.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.779 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.51 111.21 31.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.501 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 79.5 mtp -115.24 165.47 12.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -98.49 14.62 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -157.62 161.22 38.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 47.0 mtpt -97.66 -8.36 28.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.114 0.483 . . . . 0.0 109.916 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.11 79.45 5.51 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' THR . 9.7 t -111.95 104.17 12.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.587 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 26.2 m -112.15 -49.04 2.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.226 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 m -54.29 -35.85 63.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.123 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 82' ' ' LEU . 52.0 tp -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.388 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 48.4 mtmt -66.35 -45.37 80.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 39' ' ' THR . 46.6 mt-10 -54.03 -47.37 71.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.842 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -66.61 -33.13 74.98 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.677 HD22 ' SD ' ' A' ' 64' ' ' MET . 84.4 mt -69.88 -39.11 76.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.9 mt-10 -71.08 -22.35 62.12 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.091 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.7 p -63.64 -23.2 67.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.924 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 75' ' ' ILE . 86.3 m-85 -82.94 -8.06 59.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.56 22.28 13.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 8.8 ptp180 -118.61 156.05 51.76 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.98 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.17 158.51 54.67 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.626 2.218 . . . . 0.0 112.677 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.25 173.36 16.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 61' ' ' ASN . 19.6 ttmm -114.96 143.2 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.511 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.8 tp -127.53 106.37 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.38 120.36 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 111.159 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.78 127.2 32.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.064 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -90.61 -73.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.667 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -155.66 148.55 24.32 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.891 0.377 . . . . 0.0 110.771 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.1 t -87.54 146.54 25.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 35.8 t -59.29 170.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.36 -47.35 75.9 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.547 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -82.93 1.66 38.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.2 9.41 4.75 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -86.2 -22.67 26.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.145 0.498 . . . . 0.0 110.837 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 71.1 m-85 -112.74 145.74 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -129.21 118.47 22.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.834 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -87.05 113.3 22.69 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.964 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 90.8 m-85 -105.07 157.51 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.237 0.541 . . . . 0.0 110.164 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.431 HD22 ' HD2' ' A' ' 45' ' ' LYS . 5.5 t30 -117.67 121.58 41.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.48 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.87 119.39 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 p -128.23 123.98 35.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.677 ' SD ' HD22 ' A' ' 37' ' ' LEU . 21.0 ptm -146.59 160.23 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.14 145.94 33.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -126.04 127.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 42.2 m -83.96 -27.24 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -141.78 178.16 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.298 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG3' ' NH1' ' A' ' 72' ' ' ARG . 36.0 tt0 -78.95 -32.88 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.833 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 m -56.93 -37.91 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.107 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.5 -39.56 88.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' NH1' ' HG3' ' A' ' 69' ' ' GLU . 42.6 ttp180 -54.66 -50.47 68.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.191 0.52 . . . . 0.0 110.347 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 7.1 m-20 -70.37 -43.93 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.258 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -51.22 -59.22 4.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.445 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.521 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.7 mt -60.71 -38.39 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.23 -45.21 88.12 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.522 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 47.1 mt-30 -63.75 -44.51 93.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.216 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -60.3 -43.76 96.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.238 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.4 mt -58.71 -29.68 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.275 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -85.56 7.5 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.445 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -103.69 7.46 37.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 3.9 mt -72.1 -20.23 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.154 -0.342 . . . . 0.0 110.545 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 19.2 t70 73.31 -42.93 0.54 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.999 0.812 . . . . 0.0 110.348 -172.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.9 mttt -63.15 -25.87 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 9.0 p -82.79 127.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.367 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.4 m -103.48 -16.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.481 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -153.85 135.92 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.974 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -131.85 111.2 11.39 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.373 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.704 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.1 mm? . . . . . 0 C--N 1.328 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 CA--C 1.535 0.368 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 96.1 Cg_endo -80.84 164.89 77.44 Favored 'Cis proline' 0 C--N 1.356 0.946 0 C-N-CA 123.943 -1.274 . . . . 0.0 112.991 1.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -155.36 149.09 25.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.231 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.74 103.44 6.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.661 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -98.65 146.11 26.18 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.293 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -104.09 141.3 36.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 74.1 m-85 -128.33 116.98 20.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.175 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 4.3 tpp180 -80.69 110.98 16.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.3 t -112.09 107.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 -176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.0 mt -99.3 109.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.3 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.547 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 78.8 mtp -114.17 150.58 33.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 23.3 p -88.37 33.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 110.883 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.578 HG21 ' HE3' ' A' ' 84' ' ' LYS . 8.7 t -156.9 156.05 32.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -93.24 -9.74 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 171.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -87.24 83.74 7.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.277 0.561 . . . . 0.0 109.997 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.6 t -84.2 99.33 10.46 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 p -111.94 -77.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.417 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.501 ' HB ' HD22 ' A' ' 82' ' ' LEU . 6.7 m -51.21 -30.96 18.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 -177.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.4 tp -59.07 -53.5 57.63 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 54.4 mtmt -66.07 -38.18 87.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.474 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 31' ' ' SER . 45.5 mm-40 -56.15 -51.0 69.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -66.41 -31.93 73.0 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -176.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' A' ' 64' ' ' MET . 95.3 mt -65.06 -42.18 94.43 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.963 0.411 . . . . 0.0 110.624 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 48.7 mt-10 -67.29 -24.77 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.874 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 p -64.48 -18.68 65.01 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.651 0.262 . . . . 0.0 111.517 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -82.37 -4.96 58.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.125 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 61.86 17.71 9.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.574 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.3 ptp180 -115.07 154.79 47.18 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.16 147.58 67.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.384 2.056 . . . . 0.0 112.1 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -137.65 172.92 12.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.444 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 58.9 tptt -135.61 122.6 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.65 107.4 16.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -119.45 129.16 54.62 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.743 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.417 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 86.1 t80 -84.81 107.66 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -86.94 -53.42 4.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -155.45 163.7 39.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.007 -173.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.417 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 15.1 t -128.08 145.61 50.94 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.763 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 16.5 t -62.19 160.12 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -62.13 -33.87 75.29 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -79.21 -10.05 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.306 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.23 17.51 4.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.225 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 26' ' ' THR . 39.3 ttmt -95.45 -26.4 15.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.488 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 78.5 m-85 -113.4 118.51 34.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.769 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -109.44 127.83 54.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.211 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -91.86 112.24 24.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.962 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -105.79 151.15 24.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.412 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -120.64 121.28 37.98 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 88.2 t -107.48 119.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.769 177.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -119.2 114.36 22.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.91 0.386 . . . . 0.0 110.069 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.9 ptm -140.99 165.54 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.883 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 35.1 mt-10 -73.67 150.97 40.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.895 0.378 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.45 126.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 167.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 38.5 t -90.49 -33.97 15.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.138 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.3 p30 -130.63 173.86 10.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.207 0.527 . . . . 0.0 110.596 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.64 ' HG3' HH21 ' A' ' 72' ' ' ARG . 45.0 tt0 -79.13 -26.96 42.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.601 -175.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.457 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 22.6 t -64.59 -39.46 93.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.412 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.67 -38.61 75.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.647 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.64 HH21 ' HG3' ' A' ' 69' ' ' GLU . 13.0 ttp180 -59.65 -26.73 65.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.57 -45.44 10.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.085 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 33.9 tt0 -58.93 -56.24 24.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.101 -178.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.1 mt -56.96 -41.46 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.444 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.56 -43.37 75.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.503 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 26.5 mt-30 -69.17 -41.43 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.72 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 75.8 mmtt -56.34 -42.06 77.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 109.999 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.1 mt -62.83 -29.42 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.988 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 t -77.96 -21.58 50.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.1 mt-30 -71.23 -10.37 59.65 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.772 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -67.48 -35.53 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.393 -176.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.4 t70 73.18 -37.65 0.39 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.496 0.719 . . . . 0.0 111.167 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.578 ' HE3' HG21 ' A' ' 27' ' ' THR . 14.2 mtpp -57.37 -27.18 62.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 175.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 8.9 p -84.35 139.96 16.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.606 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 m -109.45 -24.82 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -141.43 119.35 11.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.5 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.8 p -112.01 122.74 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.203 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 6.7 mp . . . . . 0 C--O 1.234 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.433 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 . . . . . 0 C--O 1.233 0.233 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 83.0 Cg_endo -78.28 163.54 86.78 Favored 'Cis proline' 0 C--N 1.352 0.736 0 C-N-CA 123.653 -1.394 . . . . 0.0 113.031 1.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -167.54 165.36 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.348 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -83.77 106.94 15.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.434 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -96.67 143.59 27.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.108 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -98.09 137.28 37.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.1 m-85 -124.02 119.89 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.137 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 9.8 tpt180 -82.92 109.41 17.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 60' ' ' PHE . 33.2 t -109.29 104.26 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.23 -176.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -101.2 102.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.873 0.368 . . . . 0.0 110.493 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 52.1 mtm -112.59 157.44 21.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -94.91 32.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.572 HG21 ' HE2' ' A' ' 84' ' ' LYS . 8.8 t -153.32 155.28 36.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.335 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 3.4 mmmp? -93.97 -9.27 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.59 85.8 6.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.043 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 3.8 t -93.02 100.36 12.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -125.89 -64.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.835 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -52.39 -35.14 50.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.875 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 60.2 tp -58.39 -54.51 46.19 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.544 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 52.2 mtmt -64.42 -39.79 94.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 39' ' ' THR . 78.0 mm-40 -54.66 -48.81 71.88 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 78' ' ' LYS . 1.6 pp -64.57 -32.75 74.53 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' ' 64' ' ' MET . 65.2 mt -68.9 -41.73 77.86 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.351 0.596 . . . . 0.0 110.21 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.8 mt-10 -74.62 -20.35 59.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.001 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 35' ' ' GLU . 51.8 p -63.36 -28.24 69.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 111.108 177.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.09 -9.59 58.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.053 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 60.79 28.29 18.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.988 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.577 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 5.6 ptp180 -114.72 157.47 42.91 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.174 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.39 158.17 54.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 0.0 111.767 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -153.11 163.54 39.67 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.211 0.529 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 38.2 ttpt -115.51 103.68 10.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.521 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -91.16 120.15 31.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.86 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -126.41 140.88 52.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.847 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -109.18 107.98 18.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.1 -67.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.995 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 51' ' ' THR . 41.2 t-20 -170.63 157.05 5.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.588 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -89.08 145.52 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' ASN . 31.9 m -69.27 86.26 0.4 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.268 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 47.0 -82.36 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.411 1.085 . . . . 0.0 113.263 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' SER . 60.1 t30 -82.26 23.94 0.7 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 111.366 -172.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 59.76 20.63 9.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.86 -40.1 75.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.573 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -132.87 151.04 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -117.99 114.84 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -87.91 112.14 22.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.411 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 99.2 m-85 -105.51 158.1 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.511 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.92 122.14 20.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.09 119.49 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.9 m -107.25 109.31 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.8 ptm -134.62 160.49 37.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 26.9 mt-10 -73.21 146.02 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 17.6 m -134.12 127.48 51.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.546 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 36.0 t -81.41 -24.41 36.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -177.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -162.59 176.09 10.74 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.168 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 35.2 tt0 -65.81 -31.07 71.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -57.1 -42.46 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.346 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.94 -48.01 67.1 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.273 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 8.6 ptm180 -59.35 -35.96 74.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.599 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 80.6 m-20 -73.04 -43.07 62.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.205 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 38.0 tt0 -57.18 -53.3 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.176 0.512 . . . . 0.0 110.25 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.487 HG21 ' SD ' ' A' ' 64' ' ' MET . 63.8 mt -58.54 -45.66 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.599 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.87 -39.24 62.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.128 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.2 mt-30 -71.49 -42.96 67.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.232 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HB2' HD13 ' A' ' 36' ' ' LEU . 72.9 mttt -64.17 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 73.2 mt -59.98 -29.16 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' HG11 ' A' ' 85' ' ' VAL . 22.8 t -84.43 -18.53 35.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 27.6 mt-30 -79.61 7.16 8.85 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.979 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 9.6 mt -78.1 -25.15 47.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.1 t70 74.39 -36.95 0.34 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.619 0.767 . . . . 0.0 111.273 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.572 ' HE2' HG21 ' A' ' 27' ' ' THR . 26.9 mtpt -68.06 -12.65 61.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.183 0.516 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.6 p -95.47 135.09 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.609 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.4 -27.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -151.12 128.83 11.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.82 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 p -120.59 118.16 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.249 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.861 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--N 1.33 -0.259 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 CA--C 1.532 0.282 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -80.3 161.79 84.14 Favored 'Cis proline' 0 C--N 1.351 0.675 0 C-N-CA 123.67 -1.388 . . . . 0.0 112.995 1.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -164.93 163.84 20.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.594 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.17 103.39 11.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.839 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -93.8 140.59 29.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.92 137.07 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.842 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 98.5 m-85 -123.18 115.93 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.879 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 14.2 tpt180 -84.19 112.03 19.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.425 HG22 HG21 ' A' ' 79' ' ' ILE . 27.5 t -120.25 140.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 55.3 mt -133.93 122.15 41.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 172.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 68.9 mtm -126.59 161.68 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -92.92 12.8 22.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.634 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -134.85 140.7 46.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.066 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -82.37 -16.96 47.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -87.29 92.99 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.656 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 4.9 t -103.4 101.19 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.894 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.9 m -104.33 -60.8 1.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.991 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -49.37 -42.11 41.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' HB3' ' OG1' ' A' ' 30' ' ' THR . 9.7 tt -61.15 -38.39 86.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.494 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HE3' ' O ' ' A' ' 30' ' ' THR . 10.4 mtmp? -75.04 -38.37 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.632 0.253 . . . . 0.0 110.365 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' SER . 30.7 mm-40 -57.28 -46.79 82.78 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.3 pp -65.18 -31.05 72.04 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 93.9 mt -73.48 -39.93 64.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.094 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 61.3 mm-40 -61.56 -30.53 70.71 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.33 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -67.04 -11.79 58.06 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.96 -9.68 42.13 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 54.62 36.62 26.43 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.772 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -129.6 154.92 80.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.19 154.41 72.38 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.283 1.989 . . . . 0.0 111.949 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -155.14 149.94 26.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.137 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 56.3 tttp -96.62 103.17 15.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 tp -86.34 106.23 17.24 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 20.5 mm-40 -109.42 141.41 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.783 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 58' ' ' TYR . 82.2 t80 -111.41 106.81 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 166.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 61' ' ' ASN . 75.3 mmtt -84.34 -44.94 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.257 -171.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -171.15 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.663 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 5.2 t -127.16 146.44 50.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 p -56.99 155.7 7.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.31 -29.42 70.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.664 0.269 . . . . 0.0 111.13 -175.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -78.54 -10.0 59.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 63.47 28.24 15.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.045 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.599 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -102.76 -23.3 13.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.604 176.33 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -116.71 114.75 24.46 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.071 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' PHE . 40.5 m-85 -104.46 123.94 48.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.283 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -94.87 113.04 24.73 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 111.09 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -105.08 163.97 12.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.539 176.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.438 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 6.3 t30 -145.91 123.27 11.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 59.4 t -102.16 119.22 50.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 15.7 m -113.41 105.74 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.7 ptm -134.66 153.45 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 -173.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.13 117.41 14.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.582 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.5 m -105.77 127.57 60.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 22.1 t -85.46 -22.96 28.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -155.98 -179.07 7.78 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.47 -29.84 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.184 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -63.19 -31.51 72.68 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.1 mt-10 -69.05 -45.29 70.78 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.831 173.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -54.19 -53.3 55.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.73 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -59.67 -35.11 73.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 28.4 tt0 -68.51 -48.15 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 71' ' ' GLU . 70.1 mt -62.07 -37.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.607 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -58.82 -45.03 90.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.8 mt-30 -64.04 -43.54 95.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.307 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HB3' HD22 ' A' ' 36' ' ' LEU . 74.1 mmtt -53.09 -47.24 68.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.196 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -63.76 -29.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.879 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 t -80.64 -10.26 59.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.833 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.9 mt-30 -88.1 -9.54 52.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt -70.38 -26.62 63.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.749 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.1 t70 73.02 -34.59 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.627 0.58 . . . . 0.0 111.155 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 82' ' ' LEU . 81.7 mttt -68.54 -11.85 60.47 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.382 0.673 . . . . 0.0 111.37 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.513 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 14.8 p -84.97 142.13 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.939 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.4 -2.49 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.6 tp-100 -159.1 127.65 5.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.013 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 p -133.1 112.79 12.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.32 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.914 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.4 mp . . . . . 0 N--CA 1.466 0.336 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 CA--C 1.533 0.294 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.8 Cg_endo -80.2 163.49 82.08 Favored 'Cis proline' 0 C--N 1.351 0.689 0 C-N-CA 123.715 -1.369 . . . . 0.0 112.755 -0.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 51.4 t -172.09 164.9 6.18 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.112 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 62.2 mt -70.68 109.73 5.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.177 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -94.0 128.1 40.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -98.58 124.26 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.153 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 63.7 m-85 -100.48 135.48 41.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.186 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.822 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.5 tpt180 -92.53 109.07 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.1 t -112.02 131.63 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.499 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -118.91 107.82 22.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.236 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.449 ' HG3' HG12 ' A' ' 23' ' ' VAL . 80.6 mtp -115.77 159.2 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 p -96.48 14.63 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.51 HG21 ' HE3' ' A' ' 84' ' ' LYS . 11.2 t -138.6 157.28 46.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -175.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -97.81 -7.47 30.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.979 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.89 100.2 9.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.979 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 30' ' ' THR . 9.1 t -130.41 100.48 5.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.857 0.837 . . . . 0.0 110.549 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 35.5 t -98.05 -43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.642 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.7 m -54.89 -29.1 55.0 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 82' ' ' LEU . 39.5 tp -61.07 -45.35 95.11 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.386 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -73.85 -33.53 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.2 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 19.0 mm-40 -56.07 -47.73 77.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.0 pp -65.55 -30.62 71.39 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -74.25 -35.66 63.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.62 -25.0 67.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -62.16 -36.55 82.19 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 110.097 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.59 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 87.9 m-85 -80.95 -27.74 35.93 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 57.33 31.78 20.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.59 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -110.43 150.07 41.11 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.35 137.87 83.58 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.674 2.249 . . . . 0.0 112.015 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -144.52 150.55 37.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 36.3 ttpt -112.41 114.71 27.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 tt -109.12 107.1 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 13.2 mm-40 -125.04 154.52 41.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.266 -173.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 87.3 t80 -92.99 108.44 20.0 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 68.9 mmtt -74.85 -61.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.262 -176.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -166.57 170.23 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.652 -173.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.4 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 9.0 t -142.82 145.98 33.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -57.71 150.5 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -53.98 -33.64 57.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -76.4 -15.02 60.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 26.61 12.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.472 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -89.33 -36.64 15.42 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.3 124.22 51.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.206 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -110.79 131.78 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.033 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -100.88 113.32 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -104.9 165.8 10.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.318 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.471 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.9 t30 -124.23 128.67 49.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.582 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 33' ' ' LEU . 72.3 t -116.75 118.45 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 33.0 m -126.41 106.88 9.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.575 ' SD ' HD13 ' A' ' 75' ' ' ILE . 23.4 ptm -135.31 151.93 51.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.199 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.05 115.59 8.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.38 127.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.521 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 6.6 m -61.75 -44.73 96.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.555 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.53 -167.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.987 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' HD21 ' A' ' 73' ' ' ASN . 41.6 tt0 -57.0 -33.72 67.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.681 0.277 . . . . 0.0 111.415 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 t -56.33 -47.6 78.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.96 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 11.9 mp0 -66.37 -50.13 64.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.002 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -62.72 -14.89 49.76 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.055 -177.207 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.4 HD21 ' HG2' ' A' ' 69' ' ' GLU . 94.5 m-20 -85.74 -48.15 9.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.517 174.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HA ' HE21 ' A' ' 77' ' ' GLN . 13.8 pt-20 -64.62 -44.49 90.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.784 -176.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.575 HD13 ' SD ' ' A' ' 64' ' ' MET . 64.1 mt -62.88 -40.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.661 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.82 -38.45 67.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.434 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 74' ' ' GLU . 47.5 mt-30 -71.17 -37.18 72.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.706 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 70.4 mmtt -60.23 -37.71 81.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.117 0.485 . . . . 0.0 109.92 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.3 mm -60.05 -29.3 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.103 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.1 t -77.3 -19.3 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.64 6.13 21.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.1 mt -79.28 -20.66 47.47 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.8 t70 75.82 -32.87 0.21 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.834 0.709 . . . . 0.0 111.661 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HE3' HG21 ' A' ' 27' ' ' THR . 8.6 mtpp -86.89 6.08 33.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.934 0.397 . . . . 0.0 111.148 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 133.11 49.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.454 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -99.13 -33.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.301 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.499 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.3 tp-100 -139.96 136.79 34.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -127.75 120.97 29.08 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 mp . . . . . 0 C--O 1.235 0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 . . . . . 0 C--O 1.234 0.269 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.1 Cg_exo -79.77 146.35 75.44 Favored 'Cis proline' 0 C--N 1.351 0.704 0 C-N-CA 123.988 -1.255 . . . . 0.0 112.211 -1.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 49.9 t -159.39 173.71 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -81.81 123.53 28.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.627 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -106.79 141.78 37.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.7 119.03 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.666 -175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.91 124.52 52.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.022 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.673 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 19.1 tpp85 -98.15 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.5 116.8 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.9 mt -106.89 116.47 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 65.5 mtm -121.33 166.87 13.44 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -98.72 16.4 22.24 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.16 0.505 . . . . 0.0 111.07 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -135.34 159.01 42.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.657 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -90.8 -14.69 31.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 170.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.79 85.11 4.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -91.78 99.75 12.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.346 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 15.0 m -128.25 -64.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.638 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -49.5 -36.74 23.97 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.155 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 56.3 tp -59.54 -42.33 92.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.5 mtmt -75.25 -34.23 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.69 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' THR . 15.2 mm-40 -55.82 -51.2 68.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.79 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.9 pp -62.23 -31.04 71.53 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.517 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.1 mt -69.73 -42.65 73.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.18 -23.22 61.24 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.991 -175.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' GLU . 68.7 p -64.37 -21.3 66.58 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.053 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -84.04 -9.05 58.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.633 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 60.57 33.06 20.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.494 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 16.3 ptp180 -123.98 153.78 67.69 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.85 154.49 70.94 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.456 2.104 . . . . 0.0 112.444 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -148.75 160.2 43.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.838 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.619 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 4.1 tmmm? -117.27 110.75 18.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD22 ' HD3' ' A' ' 34' ' ' LYS . 59.2 tp -95.29 134.47 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 156.4 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.644 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -109.12 135.87 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mmpm? -105.05 -73.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.485 0.184 . . . . 0.0 111.132 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -146.19 167.29 23.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -131.29 146.88 52.49 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.269 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.0 t -62.45 165.03 6.56 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.423 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -56.99 -40.36 76.43 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.66 9.62 31.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.93 26.13 12.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.381 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -28.71 37.5 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.75 138.85 54.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.235 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -123.49 122.11 37.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -97.85 114.59 26.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.888 0.375 . . . . 0.0 110.754 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.35 145.07 31.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.547 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -107.05 122.48 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.562 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 33' ' ' LEU . 67.1 t -124.83 119.74 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 41.8 p -120.73 119.47 32.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.614 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.5 ptm -137.77 162.72 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.396 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.75 143.46 47.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -134.01 128.11 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.218 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 28.2 t -85.69 -27.92 25.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -152.6 -179.69 7.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.08 0.467 . . . . 0.0 111.312 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -75.02 -28.56 60.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.539 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 -39.82 83.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.353 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 74' ' ' GLU . 79.5 mt-10 -72.68 -27.25 61.97 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -56.13 -45.08 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 109.502 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.6 m-20 -77.91 -38.8 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 71' ' ' GLU . 13.4 tp10 -56.54 -58.68 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.974 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.614 HD13 ' SD ' ' A' ' 64' ' ' MET . 65.9 mt -63.14 -35.43 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.505 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -55.85 -46.07 78.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.267 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.6 mt-30 -63.47 -43.49 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.462 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -55.48 -44.62 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.76 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.9 mt -62.64 -29.35 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.841 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.9 p -85.29 3.21 40.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.817 -0.552 . . . . 0.0 111.728 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 21.2 mt-30 -100.28 14.99 29.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.575 0.226 . . . . 0.0 111.135 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 32.9 mt -82.64 -23.0 34.48 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -175.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 73.36 -47.49 0.66 Allowed 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.656 0.598 . . . . 0.0 110.897 -174.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -63.0 -23.99 67.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.212 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 12.5 p -79.01 140.98 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.365 -175.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.16 -22.52 4.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.062 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.5 tp-100 -141.89 132.32 25.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 110.358 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.52 HG22 HG22 ' A' ' 79' ' ' ILE . 16.4 p -126.92 110.05 12.6 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.091 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--O 1.235 0.341 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.59 155.22 76.3 Favored 'Cis proline' 0 C--N 1.351 0.666 0 C-N-CA 124.374 -1.094 . . . . 0.0 112.297 -1.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -160.8 158.96 29.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.568 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.72 103.84 1.5 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.887 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -96.74 141.92 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.36 130.78 42.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 111.418 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -124.26 109.49 13.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.664 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.809 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 12.6 tpp85 -88.24 113.91 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 35.8 t -107.35 129.52 61.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.456 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.9 mt -121.44 112.52 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 65.7 mtm -119.56 171.82 8.09 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.381 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -95.74 19.24 11.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.019 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.0 t -148.06 161.9 40.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -91.15 -10.74 40.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.753 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.63 86.3 3.95 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.828 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.516 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.1 t -94.98 99.72 11.69 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 32.5 t -124.77 -62.65 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.106 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.5 m -49.06 -36.49 18.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.771 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -58.59 -49.43 77.48 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.347 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 30' ' ' THR . 51.6 mtmt -63.17 -45.74 90.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 24.4 mm-40 -52.44 -51.18 60.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.269 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.6 pp -66.08 -31.05 71.69 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.644 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.0 mt -70.56 -40.3 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.462 . . . . 0.0 110.438 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 37.0 mt-10 -72.18 -19.69 61.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.834 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.0 p -64.1 -26.42 68.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -75.91 -8.06 56.03 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.382 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 64.41 19.4 11.78 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.513 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD2' ' SD ' ' A' ' 64' ' ' MET . 4.7 ptp180 -113.14 153.88 45.28 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.415 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.75 156.67 44.13 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.527 2.151 . . . . 0.0 111.543 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.88 154.9 41.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.699 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -98.62 107.13 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.683 178.103 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 tp -102.26 119.61 39.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.81 142.14 38.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.849 0.357 . . . . 0.0 111.297 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.99 121.05 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 170.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.3 mmpt? -85.63 -63.34 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.749 -177.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -171.92 159.31 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.367 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -87.04 147.28 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t -58.28 -179.61 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.123 0.487 . . . . 0.0 111.241 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -62.32 -19.22 63.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 109.315 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.41 138.1 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.069 169.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.73 -6.95 1.96 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.566 0.346 . . . . 0.0 111.817 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -54.52 -32.81 58.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.505 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 61.4 m-85 -122.32 142.08 50.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.014 0.435 . . . . 0.0 111.282 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.44 136.0 54.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.302 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m -106.6 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.014 0.435 . . . . 0.0 111.294 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -105.48 165.67 10.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.716 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.27 129.66 31.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.011 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 89.0 t -119.0 118.82 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.81 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 17.8 m -118.31 106.96 13.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 ptp -127.16 158.65 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 110.684 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -79.39 108.77 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.875 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 m -88.73 130.07 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.12 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 t -60.96 -47.49 86.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.212 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -155.94 -178.51 7.35 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.442 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.61 -31.48 70.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.615 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.3 t -71.21 -46.62 60.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.786 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 75' ' ' ILE . 38.1 tt0 -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.901 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.56 -46.16 73.61 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.342 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -63.43 -39.18 93.79 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' HA ' HE21 ' A' ' 77' ' ' GLN . 27.6 tt0 -63.78 -50.76 67.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.904 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' SD ' ' A' ' 64' ' ' MET . 73.9 mt -56.31 -41.42 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.22 -43.71 71.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.506 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 74' ' ' GLU . 43.9 mt-30 -68.95 -41.64 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.648 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 36' ' ' LEU . 34.6 mmtp -58.48 -43.69 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.6 mt -62.82 -29.72 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.606 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.45 ' HA ' HG11 ' A' ' 85' ' ' VAL . 43.4 p -85.29 9.8 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.097 -0.377 . . . . 0.0 111.76 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -99.22 11.96 37.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.3 mt -77.08 -24.6 51.85 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 71.92 -42.32 0.53 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.84 0.856 . . . . 0.0 111.085 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HD3' HG21 ' A' ' 27' ' ' THR . 16.2 ptpt -71.27 -5.88 35.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.2 p -91.66 139.55 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.408 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.21 -23.78 4.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.401 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -151.34 136.74 17.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -129.35 129.47 44.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.9 mm? . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.0 Cg_exo -79.79 154.78 88.02 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.469 -1.055 . . . . 0.0 112.488 -0.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.8 t -163.07 161.31 25.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.25 122.39 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.618 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.0 t-105 -117.46 145.54 44.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -91.38 131.59 36.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.115 0.483 . . . . 0.0 111.239 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 91.2 m-85 -121.77 114.81 21.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.615 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.845 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.3 tpp85 -85.86 112.38 21.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.7 t -113.23 110.92 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.418 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -101.94 112.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 70.6 mtm -121.53 162.88 19.78 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.388 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -93.89 13.46 22.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.888 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 ' HD3' ' A' ' 84' ' ' LYS . 13.1 t -130.34 161.9 30.26 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -95.51 -15.32 22.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.725 172.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.82 80.96 7.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.276 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -79.25 100.11 7.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.576 0.703 . . . . 0.0 109.188 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 9.3 p -122.93 -73.6 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.452 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -49.26 -36.02 19.27 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.8 tp -57.36 -46.9 82.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.827 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 37' ' ' LEU . 54.6 mtmt -75.8 -33.83 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.815 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 31' ' ' SER . 42.4 mt-10 -58.6 -43.4 89.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -68.01 -31.36 70.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.308 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 34' ' ' LYS . 67.3 mt -65.66 -40.97 93.01 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.245 0.545 . . . . 0.0 109.679 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 45.9 mt-10 -65.43 -31.19 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.547 -177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -64.66 -21.44 66.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 111.271 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 93.6 m-85 -83.38 -9.78 58.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.569 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 62.18 24.36 14.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.266 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.6 ptp180 -119.7 147.12 43.16 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.181 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.41 162.98 38.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.602 2.201 . . . . 0.0 112.576 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -155.29 172.49 18.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.99 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.611 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 5.1 ttpm? -127.33 112.32 14.9 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.52 124.79 34.35 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 44.3 mt-10 -125.65 143.8 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 111.684 -178.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -110.72 107.91 17.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.7 -60.85 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.466 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -167.37 163.77 15.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.682 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.512 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 13.7 t -98.65 136.21 39.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' ASN . 30.9 t -72.79 83.99 1.2 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.395 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 47.26 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 112.885 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 52' ' ' SER . 65.9 m-20 -77.23 6.25 7.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 63.73 19.87 11.94 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -76.78 -35.84 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.246 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -121.69 148.67 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.855 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.42 125.71 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.9 p -94.42 112.41 24.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.874 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.54 158.7 16.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 8.9 t30 -138.4 132.01 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.63 118.54 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.097 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 78.6 p -105.58 106.87 17.56 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.493 ' SD ' HD13 ' A' ' 75' ' ' ILE . 26.5 ptm -129.11 160.17 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.248 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.4 136.76 47.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.0 126.79 73.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 21.0 t -84.07 -23.39 30.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.174 0.511 . . . . 0.0 109.891 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.63 178.33 10.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.896 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 23.2 tt0 -85.95 -17.8 34.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.535 -175.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -63.4 -40.75 98.06 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -67.17 -37.23 83.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.913 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 76.3 ttt180 -54.58 -34.21 61.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 87.7 m-20 -85.19 -42.47 14.68 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.699 177.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.0 tt0 -58.34 -50.12 74.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.056 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.5 mt -58.94 -40.06 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.69 -42.06 78.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 52.0 mt-30 -68.66 -36.96 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.372 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 74.8 mmtt -59.01 -41.9 88.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.158 0.504 . . . . 0.0 109.815 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.5 mt -60.88 -28.99 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.929 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -75.78 -19.39 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.7 mt-30 -84.04 0.58 47.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -75.42 -22.22 57.56 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.46 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t70 72.55 -31.18 0.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.277 0.631 . . . . 0.0 111.712 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -88.86 4.2 48.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.416 0.686 . . . . 0.0 111.336 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 11.3 p -92.23 137.65 21.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.444 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -112.31 -15.33 10.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.434 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.8 tp-100 -156.09 131.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.475 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 79' ' ' ILE . 47.6 p -121.89 122.68 39.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.829 -177.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 2.9 Cg_endo -81.78 145.56 64.0 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 124.261 -1.141 . . . . 0.0 112.614 0.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 43.3 t -154.11 169.07 24.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -79.65 141.36 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.946 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -129.76 139.18 51.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.69 129.27 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.228 0.33 . . . . 0.0 110.398 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.468 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 76.0 m-85 -117.04 114.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.839 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.4 tpp180 -79.42 109.1 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 25' ' ' MET . 49.0 t -111.66 111.7 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.728 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.38 109.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.296 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.463 ' HG3' HG12 ' A' ' 23' ' ' VAL . 84.2 mtp -120.23 159.03 25.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -97.19 16.58 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.676 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 t -136.87 132.57 34.74 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.9 mtmp? -72.36 -19.99 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.664 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -99.75 83.67 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.243 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -90.04 125.96 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.26 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 -53.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.406 ' HB ' HD22 ' A' ' 82' ' ' LEU . 8.8 m -52.25 -33.86 43.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.54 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 66.5 tp -59.28 -45.0 92.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.344 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 37' ' ' LEU . 57.6 mtmt -74.92 -31.51 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -61.76 -47.0 87.19 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.103 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.5 pp -66.02 -30.67 71.26 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.89 0.376 . . . . 0.0 110.396 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' ' 64' ' ' MET . 75.5 mt -70.49 -37.31 74.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.243 0.544 . . . . 0.0 109.749 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.33 -30.83 71.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.472 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.1 p -69.03 -17.72 63.94 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -77.86 -14.58 59.52 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 59.23 24.82 13.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.335 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 65' ' ' GLU . 11.0 ptp180 -113.82 152.4 45.56 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.68 148.46 77.8 Favored 'Trans proline' 0 C--O 1.237 0.471 0 C-N-CA 122.298 1.999 . . . . 0.0 112.163 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -155.31 151.08 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 34.2 ttpt -104.19 120.83 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.863 178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -102.21 109.95 21.77 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' ' 61' ' ' ASN . 13.2 pt-20 -123.61 128.69 50.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.414 . . . . 0.0 111.005 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -83.45 110.75 18.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.485 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 8.9 mmpt? -64.38 -67.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.145 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -178.89 164.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.802 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -99.37 146.34 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -50.98 153.89 1.68 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -63.85 -30.4 71.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.039 0.447 . . . . 0.0 110.369 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -84.68 0.43 50.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.76 22.99 12.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.812 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -82.01 -43.91 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CD1' HG21 ' A' ' 86' ' ' VAL . 36.2 m-85 -118.44 139.9 50.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.653 -177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -107.92 117.68 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -93.37 112.44 24.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.351 -174.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.57 166.19 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.171 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t30 -141.33 126.31 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.383 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 84.2 t -101.59 119.93 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.7 m -112.96 106.19 14.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.63 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.7 ptm -134.58 161.19 35.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.588 0.232 . . . . 0.0 110.898 -175.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' HH11 ' A' ' 42' ' ' ARG . 36.6 mt-10 -74.97 138.55 42.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.057 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.3 126.95 68.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.59 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 27.8 t -88.51 -30.87 19.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.335 0.588 . . . . 0.0 109.602 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.0 p30 -139.45 178.36 7.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.556 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.84 -24.71 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.459 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.493 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 24.4 t -59.64 -37.76 79.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.76 -46.37 82.42 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.833 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -54.0 -37.26 63.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -74.2 -47.75 33.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.02 -49.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.364 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.63 HD13 ' SD ' ' A' ' 64' ' ' MET . 70.3 mt -56.15 -43.41 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -55.33 -40.41 71.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.412 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -71.07 -42.25 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.492 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.539 ' HB3' HD22 ' A' ' 36' ' ' LEU . 71.2 mmtt -55.37 -43.89 75.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.584 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.4 mt -59.33 -29.27 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.44 ' HA ' HG11 ' A' ' 85' ' ' VAL . 42.1 t -73.95 -29.81 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.966 0.412 . . . . 0.0 110.699 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.14 3.7 2.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.329 -172.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 12.1 mt -83.28 -26.29 30.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.513 -0.117 . . . . 0.0 110.746 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.7 t70 71.92 -35.18 0.32 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.771 0.67 . . . . 0.0 111.391 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 20.2 mttp -69.7 -10.17 57.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.432 0.693 . . . . 0.0 111.604 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.4 p -89.73 132.31 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.457 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 57' ' ' PHE . 32.6 m -99.99 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -161.22 142.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.863 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 t -141.82 140.37 32.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.819 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 72.2 Cg_endo -81.06 158.15 83.83 Favored 'Cis proline' 0 C--N 1.353 0.789 0 C-N-CA 123.661 -1.391 . . . . 0.0 112.81 -3.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -164.69 170.68 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.212 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -79.46 108.79 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -95.14 147.31 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.83 119.63 35.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -172.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -108.06 130.87 55.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.842 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.6 tpp180 -94.66 109.67 21.58 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -107.18 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.649 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -95.13 115.42 33.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.1 mtp -120.19 156.28 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.349 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 p -93.36 27.05 2.69 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.313 0.578 . . . . 0.0 110.745 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -155.75 157.83 37.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.206 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 56.0 mtmt -102.62 7.56 39.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 109.878 174.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -84.05 87.97 7.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.309 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -105.63 101.3 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.802 0.81 . . . . 0.0 110.85 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 47.5 t -138.34 -54.35 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.707 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -48.29 -36.58 14.44 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.938 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 82' ' ' LEU . 53.7 tp -61.44 -45.48 94.12 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.952 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 53.6 mtmt -72.17 -38.33 69.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -177.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 31' ' ' SER . 25.5 mm-40 -52.53 -50.84 62.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.145 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.81 -31.43 72.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.721 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 ' SD ' ' A' ' 64' ' ' MET . 82.4 mt -68.15 -39.35 82.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.143 0.497 . . . . 0.0 110.302 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.6 mt-10 -72.23 -20.13 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.821 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 p -61.3 -27.02 68.18 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.092 0.472 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 78.4 m-85 -78.97 -9.43 59.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.948 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 61.35 17.37 8.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.938 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 9.8 ptp180 -107.37 150.53 40.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.905 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.11 159.47 53.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.608 2.206 . . . . 0.0 112.356 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.31 151.34 24.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.258 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -111.44 112.92 25.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -105.02 124.99 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.135 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -141.9 143.34 33.25 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.264 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -88.38 109.97 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 30.7 mmtp -72.7 -66.18 0.7 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.716 -175.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -166.33 142.15 4.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.688 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -95.63 132.64 40.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -57.63 157.29 7.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -57.36 -30.34 64.77 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -68.26 -19.24 64.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.977 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.35 13.88 9.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.247 0.619 . . . . 0.0 111.341 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -93.24 -28.75 16.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.344 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.99 107.32 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -98.37 118.87 36.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.675 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -95.12 115.97 28.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.976 0.417 . . . . 0.0 111.526 -176.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.42 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 97.8 m-85 -103.99 164.41 11.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.44 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.596 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 t30 -132.49 125.75 31.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.134 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.66 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -118.27 107.53 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.541 ' SD ' HD22 ' A' ' 37' ' ' LEU . 18.7 ptm -135.76 151.04 49.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 -172.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.603 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.5 mt-10 -73.95 116.27 14.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.464 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.1 m -97.85 126.75 50.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.55 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 16.9 m -64.63 -40.13 94.92 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 35.0 p-10 -163.35 -175.26 4.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.675 -176.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.39 -44.29 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.73 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -53.1 -51.62 61.3 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.213 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 68' ' ' ASN . 18.2 mm-40 -59.03 -44.32 91.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.516 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -30.54 69.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.403 -174.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -88.67 -43.03 11.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.44 -52.72 64.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.188 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.7 mt -55.97 -40.79 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.661 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.09 -49.68 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.12 -35.66 75.74 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.925 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -70.25 -37.96 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.813 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 70.2 mt -64.72 -29.98 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.565 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.8 p -85.15 8.66 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -92.63 -2.37 56.15 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -66.19 -24.84 66.7 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.286 -174.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.0 t70 73.71 -37.18 0.36 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.64 0.588 . . . . 0.0 110.705 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 82' ' ' LEU . 72.0 mttt -70.78 -21.22 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.971 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.8 p -78.11 135.53 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.356 -178.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.1 p -106.63 -25.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 -176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -158.81 123.56 4.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.792 0.33 . . . . 0.0 110.961 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 p -110.36 127.83 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? . . . . . 0 C--O 1.234 0.238 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.638 0.256 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.72 175.56 49.61 Favored Glycine 0 C--N 1.332 0.314 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -142.49 150.87 41.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.015 0.408 . . . . 0.0 110.601 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.7 mtt -71.27 156.87 91.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.786 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -62.1 -178.5 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.436 2.091 . . . . 0.0 111.902 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -95.5 11.92 31.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -80.91 147.47 30.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.69 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m 63.58 28.14 15.11 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.365 0.602 . . . . 0.0 110.174 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 1.8 tpmt? -64.57 126.3 27.43 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.731 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.85 122.97 77.93 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 173.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.21 152.29 76.15 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.665 2.243 . . . . 0.0 112.579 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m -71.04 123.82 22.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.812 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.1 mm -104.2 133.69 47.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mm -88.98 105.89 16.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 111.198 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -101.66 145.04 29.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 4.3 Cg_exo -78.27 156.86 93.9 Favored 'Cis proline' 0 C--N 1.351 0.671 0 C-N-CA 124.272 -1.137 . . . . 0.0 112.318 -0.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.7 t -166.3 159.22 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.253 178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.03 124.28 23.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.015 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.0 t-105 -111.64 143.75 42.01 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -106.68 127.08 53.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.833 0.349 . . . . 0.0 111.059 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.9 135.66 54.46 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.833 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.908 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.9 tpp180 -102.84 118.59 37.16 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.427 HG12 ' HG3' ' A' ' 25' ' ' MET . 29.8 t -119.46 108.94 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 -175.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.0 mt -98.94 110.04 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' HG12 ' A' ' 23' ' ' VAL . 68.0 mtm -119.83 157.68 28.17 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.781 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -93.56 19.66 8.27 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.689 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 84' ' ' LYS . 14.6 t -135.41 146.98 48.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.222 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -90.91 -11.67 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 171.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -85.98 79.01 9.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.456 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.425 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -89.0 100.82 13.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.555 0.693 . . . . 0.0 110.496 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -110.89 -67.99 0.96 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.713 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.1 m -46.6 -38.57 9.75 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.621 -0.718 . . . . 0.0 112.111 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD13 HD11 ' A' ' 82' ' ' LEU . 61.1 tp -59.89 -48.36 82.01 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.838 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 51.0 mtmt -74.88 -35.49 62.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.731 0.301 . . . . 0.0 110.254 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -55.35 -50.97 68.28 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.211 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -60.68 -31.12 70.39 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.105 -177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 HD22 ' SD ' ' A' ' 64' ' ' MET . 60.5 mt -74.83 -44.78 47.38 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.181 0.515 . . . . 0.0 110.497 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 53.5 mt-10 -63.62 -26.16 68.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.114 -174.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 65.3 p -61.63 -26.02 67.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 111.281 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -75.77 -8.74 57.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.806 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.99 12.68 6.07 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.448 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -105.05 156.32 36.28 Favored Pre-proline 0 C--O 1.236 0.375 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.41 162.89 40.9 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.3 2.0 . . . . 0.0 111.849 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -160.09 153.44 22.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.99 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -99.35 123.45 43.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.764 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -108.7 119.24 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 62.9 mm-40 -128.25 155.23 44.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.884 0.373 . . . . 0.0 111.295 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -118.64 116.97 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -85.53 -60.53 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.552 0.215 . . . . 0.0 111.561 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -167.57 167.72 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.27 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.3 t -131.42 147.94 52.61 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -56.75 165.12 1.27 Allowed 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -65.45 -17.91 64.91 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -173.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -101.0 5.09 42.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.307 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.05 26.37 13.49 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.292 0.568 . . . . 0.0 110.586 -177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -87.43 -40.33 14.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.532 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CD1' HG21 ' A' ' 86' ' ' VAL . 61.2 m-85 -113.76 122.52 47.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.877 -177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -105.1 118.46 36.6 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -87.07 111.98 21.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.309 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -104.76 148.55 26.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.274 0.559 . . . . 0.0 110.332 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.528 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -116.86 122.05 43.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.64 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -118.42 136.26 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.85 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.5 m -139.6 121.07 15.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.6 ptm -141.91 155.67 45.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.663 0.268 . . . . 0.0 110.769 -177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.07 120.07 20.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.7 m -108.12 128.24 63.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 173.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 29.7 t -87.51 -18.73 29.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.689 0.28 . . . . 0.0 110.865 -176.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -151.51 178.7 9.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.053 0.454 . . . . 0.0 110.725 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -77.64 -28.91 51.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.781 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.4 t -63.04 -47.09 84.5 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 52.9 mt-10 -56.94 -46.48 82.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.987 0.422 . . . . 0.0 110.183 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -54.24 -34.82 61.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.65 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.456 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 41.2 m-80 -83.81 -48.41 10.1 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.439 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 11.6 pt-20 -60.25 -43.62 95.98 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.785 0.326 . . . . 0.0 110.597 -174.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.566 HD13 ' SD ' ' A' ' 64' ' ' MET . 71.6 mt -60.01 -43.26 92.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.121 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.11 -34.49 73.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.57 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.1 mt-30 -72.33 -35.04 68.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.026 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 79.2 mttt -67.59 -33.69 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.257 0.551 . . . . 0.0 109.69 177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.514 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 72.3 mt -62.14 -29.79 47.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.139 178.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.4 p -87.1 -4.81 59.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.028 -0.42 . . . . 0.0 111.332 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 26.0 mt-30 -93.44 3.46 55.54 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.12 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 18.9 mt -71.14 -34.58 71.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.649 0.262 . . . . 0.0 110.485 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 27.2 t70 77.33 -36.64 0.24 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.786 0.834 . . . . 0.0 111.066 -175.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HG2' HG21 ' A' ' 27' ' ' THR . 3.0 mptp? -62.07 -25.86 67.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.973 0.416 . . . . 0.0 110.615 174.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 p -76.69 131.6 34.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.221 -176.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.417 HG21 ' CD1' ' A' ' 57' ' ' PHE . 34.3 m -102.7 -19.96 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.898 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -156.57 118.67 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 0.0 110.584 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.407 HG22 HG22 ' A' ' 79' ' ' ILE . 60.0 p -98.31 133.23 43.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.908 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.8 mm? -115.13 104.71 12.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -112.37 60.34 0.34 Allowed Glycine 0 C--O 1.237 0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.929 -178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.785 -0.626 . . . . 0.0 109.898 178.335 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.35 118.79 5.07 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.18 -0.533 . . . . 0.0 112.247 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -69.18 140.04 54.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.6 mpp? -64.11 151.55 89.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.08 155.03 71.09 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.547 2.165 . . . . 0.0 111.504 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.426 ' OG ' ' NZ ' ' A' ' 10' ' ' LYS . 25.6 p -164.99 161.61 20.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -73.97 -38.32 64.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 110.023 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.6 t -69.68 116.51 10.16 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.659 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -78.82 132.78 36.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 9.1 mptt -71.74 145.33 89.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.323 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -56.31 130.14 38.52 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.553 2.169 . . . . 0.0 111.55 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.6 m -62.69 111.56 2.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.3 mm -92.88 140.81 15.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.613 178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.54 132.67 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.238 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -125.27 139.72 34.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.17 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -85.34 145.34 39.74 Favored 'Cis proline' 0 C--N 1.349 0.598 0 C-N-CA 124.136 -1.193 . . . . 0.0 112.354 -1.481 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.6 t -150.12 163.64 37.69 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.895 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.88 103.3 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.412 ' O ' ' HA ' ' A' ' 63' ' ' SER . 37.7 t-105 -88.53 143.8 26.74 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -107.64 132.94 52.77 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.203 0.525 . . . . 0.0 111.564 -174.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 82.7 m-85 -122.14 131.12 53.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.424 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.837 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.5 tpt180 -93.06 110.31 21.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.8 t -111.29 118.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.46 -176.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.7 mt -110.27 109.08 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.472 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 39.7 mtm -117.07 149.36 40.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.301 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 p -86.72 42.23 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.594 HG21 ' HE3' ' A' ' 84' ' ' LYS . 10.1 t -162.51 158.24 23.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.311 -176.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -104.32 -2.48 25.48 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 171.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -80.94 79.94 7.52 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.578 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.9 t -86.88 101.63 13.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 17.9 m -130.58 -62.73 0.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.386 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.1 m -59.96 -34.94 73.94 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.539 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 62.5 tp -54.72 -48.36 72.61 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.698 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.578 ' HE2' ' O ' ' A' ' 30' ' ' THR . 50.6 mtmt -70.05 -36.33 74.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.81 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 31' ' ' SER . 23.5 mm-40 -54.51 -49.46 70.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.108 -178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.5 pp -65.89 -31.62 72.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.071 -178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD22 ' SD ' ' A' ' 64' ' ' MET . 87.7 mt -70.89 -34.03 71.16 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.012 0.434 . . . . 0.0 110.293 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.34 -26.41 60.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.936 -176.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.5 p -61.93 -15.95 47.13 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.753 0.311 . . . . 0.0 111.361 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 97.3 m-85 -92.39 -14.15 29.06 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.263 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.01 33.22 22.96 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 122.604 0.361 . . . . 0.0 111.583 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.522 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.7 ptp180 -124.03 150.56 63.34 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -67.85 147.83 75.6 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.301 2.001 . . . . 0.0 112.319 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -144.43 146.35 32.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.816 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -101.44 104.19 15.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.0 tp -98.9 122.86 42.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.92 -178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -145.0 156.16 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.29 0.369 . . . . 0.0 110.721 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -94.55 116.54 28.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.966 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 61' ' ' ASN . 72.9 mmtt -69.3 -81.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -157.65 176.58 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.257 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.416 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 13.2 t -132.69 146.06 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.42 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 33.1 m -64.96 175.67 1.46 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.281 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.7 -50.25 73.83 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -172.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -85.94 8.1 21.69 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.624 0.249 . . . . 0.0 110.887 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.85 19.95 8.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.708 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -74.71 -31.88 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.234 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 72.2 m-85 -113.01 125.36 54.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.039 -178.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -113.37 121.12 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.625 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -92.27 121.2 33.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.73 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -108.99 162.42 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.49 ' HB2' ' HE2' ' A' ' 49' ' ' LYS . 2.3 t30 -114.76 122.46 46.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.563 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.08 118.21 56.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 174.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 16.5 m -129.72 108.16 9.97 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.549 ' SD ' HD13 ' A' ' 75' ' ' ILE . 22.5 ptm -136.74 150.65 48.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.626 0.25 . . . . 0.0 110.8 -174.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.64 126.32 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.12 131.07 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 13.5 m -75.31 -30.19 60.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.32 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -170.95 -178.46 2.5 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.924 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' ND2' ' A' ' 73' ' ' ASN . 37.6 tt0 -61.61 -30.66 70.83 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.057 -174.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 m -57.21 -38.99 74.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.805 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.43 -31.18 57.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.292 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.599 HH21 ' HB2' ' A' ' 91' ' ' SER . 2.5 tmt_? -56.92 -42.51 80.13 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.431 ' ND2' ' HG2' ' A' ' 69' ' ' GLU . 43.6 m-80 -70.68 -45.92 64.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.88 178.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 39.8 tt0 -61.25 -55.85 27.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.05 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.549 HD13 ' SD ' ' A' ' 64' ' ' MET . 76.3 mt -58.1 -41.35 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.501 -178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -53.62 -45.09 69.97 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.409 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -69.25 -39.19 78.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.6 mmtp -59.42 -43.21 93.09 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.458 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 78.2 mt -62.01 -29.71 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.68 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t -79.21 -11.92 59.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.347 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -80.84 -5.71 57.64 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.829 0.347 . . . . 0.0 111.413 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -72.37 -37.49 68.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.115 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 32.9 t70 72.95 -33.2 0.26 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.832 0.853 . . . . 0.0 111.365 -175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.594 ' HE3' HG21 ' A' ' 27' ' ' THR . 15.8 mtpp -59.87 -21.55 61.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.359 0.6 . . . . 0.0 109.681 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -84.01 129.39 37.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.739 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.17 -15.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.246 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.404 ' HG3' HD11 ' A' ' 89' ' ' LEU . 6.6 tp-100 -151.86 128.04 10.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.1 p -119.21 115.79 24.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.594 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.837 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp -110.92 113.86 26.75 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 176.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.49 4.59 64.27 Favored Glycine 0 C--N 1.331 0.252 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.599 ' HB2' HH21 ' A' ' 72' ' ' ARG . 17.1 t . . . . . 0 C--O 1.249 1.068 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.04 131.64 2.4 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.94 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -138.46 155.18 48.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.0 mtm -125.86 155.25 73.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.004 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -52.5 99.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.436 2.091 . . . . 0.0 111.558 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 p -64.48 -23.45 67.28 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.306 -177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -103.78 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.732 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.5 t -65.62 134.31 53.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -94.73 134.92 36.82 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.427 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 42.3 mtpt -59.81 130.88 88.73 Favored Pre-proline 0 CA--C 1.534 0.334 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 47.7 Cg_exo -55.81 125.61 19.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.875 2.383 . . . . 0.0 112.519 -176.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -75.67 111.11 10.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.165 177.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.4 mm -94.02 110.17 23.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.4 mt -90.42 132.91 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.609 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -113.14 151.37 44.16 Favored Pre-proline 0 CA--C 1.533 0.31 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -82.06 150.35 73.34 Favored 'Cis proline' 0 C--N 1.353 0.813 0 C-N-CA 124.635 -0.986 . . . . 0.0 112.485 0.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 p -155.94 160.79 40.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.6 mt -69.09 103.41 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.242 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -94.53 147.43 23.27 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.79 119.36 38.52 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.043 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 96.9 m-85 -105.0 147.49 27.75 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.89 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.87 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.1 tpp85 -125.86 113.96 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.1 t -115.64 110.86 33.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 70.9 mt -100.88 108.04 22.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.4 178.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 65.1 mtm -111.07 176.78 4.89 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.7 p -106.47 12.7 29.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.88 0.371 . . . . 0.0 111.434 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.5 t -141.8 158.86 43.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.427 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -86.5 -6.37 58.92 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -76.13 82.54 2.96 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.294 0.569 . . . . 0.0 109.903 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -95.04 100.08 11.97 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 174.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.567 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 22.9 t -146.47 -53.59 0.24 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.366 -175.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.8 m -59.9 -31.15 69.54 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.764 176.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.9 tp -59.7 -44.61 93.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.253 174.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 50.9 mtmt -70.58 -33.81 71.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.411 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -50.88 -48.62 60.24 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.58 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.2 pp -69.84 -30.43 67.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.194 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.9 mt -72.56 -39.03 67.77 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.8 mt-10 -67.75 -22.48 65.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.723 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -61.45 -30.12 70.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.983 0.42 . . . . 0.0 110.527 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -79.96 -22.2 42.89 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.24 177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 58.27 21.44 8.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.233 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 6.1 ptp180 -97.74 155.52 37.08 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.27 138.71 62.29 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.395 2.063 . . . . 0.0 112.259 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -148.91 151.94 35.53 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.268 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HE2' ' OG ' ' A' ' 63' ' ' SER . 37.6 ttpt -105.26 117.68 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.353 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.86 112.41 23.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 174.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -129.83 156.25 44.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -173.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 91.3 t80 -124.77 114.49 19.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.223 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.2 mmpt? -83.96 -64.9 1.08 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.498 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -158.91 158.3 33.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.568 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.428 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 6.8 t -121.96 145.56 47.99 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.4 t -55.86 159.07 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.505 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' NZ ' ' HB3' ' A' ' 53' ' ' LYS . 2.5 mmmp? -56.89 -32.31 65.75 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.009 175.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -85.27 -8.03 58.72 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.816 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.58 18.58 8.5 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.132 -176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -87.26 -33.71 19.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.29 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -113.39 135.92 53.34 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.114 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -121.9 125.47 46.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.954 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 m -91.32 112.45 24.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.114 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.437 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 86.2 m-85 -104.48 156.42 17.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.874 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -131.44 129.21 40.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.1 -175.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.563 ' N ' HD22 ' A' ' 61' ' ' ASN . 96.5 t -129.95 119.13 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.195 177.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.493 ' OG ' ' HE2' ' A' ' 45' ' ' LYS . 20.5 p -111.95 122.12 46.9 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 176.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.422 ' SD ' HD22 ' A' ' 37' ' ' LEU . 22.1 ptm -143.93 146.52 33.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.394 -175.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.7 mt-10 -73.0 107.88 5.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.495 178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.5 m -90.02 127.87 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.347 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.3 t -61.35 -35.64 78.0 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.588 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -161.22 -173.77 4.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.371 -175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 44.7 tt0 -72.35 -38.38 68.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.077 -177.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 m -59.62 -32.82 70.78 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 122.245 -0.284 . . . . 0.0 110.311 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.31 -56.36 19.26 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.506 175.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.591 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 9.3 ptm180 -63.35 -14.42 49.86 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.846 -173.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -96.12 -41.32 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.714 0.292 . . . . 0.0 110.569 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 10.3 pt-20 -69.11 -45.74 69.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.929 0.395 . . . . 0.0 110.165 -177.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.535 ' O ' HG13 ' A' ' 79' ' ' ILE . 76.6 mt -60.67 -40.04 83.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.87 177.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -54.66 -39.42 68.04 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.761 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -73.1 -39.7 65.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.574 ' HB2' HD13 ' A' ' 36' ' ' LEU . 78.5 mttt -63.78 -29.82 70.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.086 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.618 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 81.4 mt -63.65 -29.83 48.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.361 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG11 ' A' ' 85' ' ' VAL . 51.5 p -85.9 8.7 19.24 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.876 -0.515 . . . . 0.0 111.595 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -90.69 1.48 56.79 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.323 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.4 mt -76.92 -23.43 52.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.5 0.191 . . . . 0.0 110.534 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.4 t70 73.42 -40.09 0.46 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.942 0.776 . . . . 0.0 111.184 -176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -75.09 -6.87 51.81 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.136 0.575 . . . . 0.0 111.603 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.5 p -89.37 132.86 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.55 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.02 -28.05 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.338 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.46 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 53.9 tp60 -142.16 118.77 11.01 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.027 0.442 . . . . 0.0 110.902 -177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 79' ' ' ILE . 32.1 p -104.96 126.8 52.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.474 177.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.87 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp -122.48 123.13 40.57 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 178.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.69 18.72 16.92 Favored Glycine 0 C--N 1.328 0.138 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.252 1.221 0 C-N-CA 123.514 0.726 . . . . 0.0 110.355 -176.821 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 120.893 0.378 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.87 -179.3 22.86 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -141.28 120.16 12.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.716 0.258 . . . . 0.0 110.329 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.432 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 69.2 mtm -56.16 142.03 67.61 Favored Pre-proline 0 C--O 1.236 0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 22.7 Cg_exo -65.04 147.37 88.81 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.047 2.498 . . . . 0.0 112.826 -176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' A' ' 9' ' ' LYS . 32.6 t -75.39 96.72 3.47 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.369 174.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.15 -45.33 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.451 -173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.4 t -73.4 -49.32 27.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.342 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 6' ' ' SER . 31.1 mmmt -63.98 101.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.436 -178.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -70.65 148.18 94.92 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.637 178.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -62.47 123.91 13.26 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.371 2.047 . . . . 0.0 111.131 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 m -98.82 111.25 23.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.064 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mm -93.31 142.13 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.721 -176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.5 mt -92.7 110.07 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' SER . 73.2 m-85 -95.81 148.54 34.72 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.99 -178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.95 160.22 95.09 Favored 'Cis proline' 0 C--N 1.351 0.696 0 C-N-CA 124.345 -1.106 . . . . 0.0 111.991 -0.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 53.8 t -163.59 160.8 23.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.458 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.8 mt -75.52 110.68 10.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.655 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -93.57 141.48 28.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -104.37 132.75 50.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.536 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -124.32 142.94 50.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.546 -179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.734 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 2.4 tpp180 -110.68 111.24 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.514 HG12 ' HG3' ' A' ' 25' ' ' MET . 41.4 t -104.89 106.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.434 -176.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.2 mt -96.9 108.08 20.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.001 0.429 . . . . 0.0 110.237 178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.514 ' HG3' HG12 ' A' ' 23' ' ' VAL . 77.9 mtp -116.57 145.4 43.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.882 -177.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 16.9 p -82.44 -5.97 59.01 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 110.741 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -112.99 155.63 24.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -97.67 1.29 48.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -78.49 84.02 4.66 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.5 t -89.53 99.59 12.56 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 121.695 0.76 . . . . 0.0 109.338 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.2 p -137.65 -63.52 0.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.457 -177.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.62 -31.61 37.54 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.501 176.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 51.3 tp -63.08 -40.32 97.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.694 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -69.24 -42.07 76.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.898 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -51.05 -51.54 52.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.369 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 HD21 ' A' ' 82' ' ' LEU . 3.3 pp -63.73 -32.77 74.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.635 -176.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.6 mt -69.76 -40.83 75.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.14 0.495 . . . . 0.0 110.316 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.39 -19.2 63.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.084 -176.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.9 p -62.78 -25.53 68.27 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.94 0.4 . . . . 0.0 110.867 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 43.9 m-85 -81.69 -4.28 55.81 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.662 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 58.45 29.86 18.88 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.259 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.515 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 10.3 ptp180 -127.71 155.88 76.5 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.561 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.41 156.39 64.38 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.473 2.115 . . . . 0.0 112.037 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.51 153.5 34.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HG2' ' HG2' ' A' ' 47' ' ' GLU . 37.7 ttpt -107.23 106.92 17.62 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -108.9 106.59 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 63.1 mm-40 -119.52 154.99 32.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.147 -177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 89.5 t80 -96.79 117.56 31.34 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.43 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 70.2 mmtt -76.85 -80.11 0.1 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.15 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -146.92 178.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.2 -174.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.426 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 10.2 t -141.45 145.61 35.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.901 176.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -70.28 173.21 7.03 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -52.56 -53.41 46.76 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.218 0.607 . . . . 0.0 111.906 -175.547 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -91.74 13.88 16.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.114 0.483 . . . . 0.0 110.006 -177.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.66 17.06 7.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.16 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 26' ' ' THR . 24.6 ttmm -65.33 -34.9 79.41 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -118.63 111.27 18.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.739 -178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -93.0 119.04 31.84 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.0 m -92.42 112.48 24.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.381 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -104.78 154.97 19.32 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.41 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.6 t30 -121.28 122.59 40.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.892 -178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.42 119.06 59.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 7.8 m -121.22 112.76 19.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.525 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.0 ptm -136.18 161.67 35.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.404 . . . . 0.0 111.03 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 31.1 mt-10 -75.9 122.45 24.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.747 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.5 m -108.0 134.72 48.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 15' ' ' TYR . 37.1 t -72.6 -51.89 17.78 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.947 0.403 . . . . 0.0 110.567 -177.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.04 -161.56 1.36 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.242 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 31.3 tt0 -71.46 -20.52 62.08 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.674 0.273 . . . . 0.0 111.652 -174.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -62.9 -42.85 99.92 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.962 0.411 . . . . 0.0 110.66 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 20.2 mp0 -64.19 -48.59 75.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.254 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -60.02 -15.46 22.83 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -174.635 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -93.76 -45.4 7.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.854 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 8.2 pt-20 -64.6 -43.78 92.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.933 0.396 . . . . 0.0 110.421 -176.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.525 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.5 mt -63.36 -36.23 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.287 -178.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -58.0 -36.73 73.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.035 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -76.32 -39.2 54.71 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.852 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.9 mmtp -55.21 -41.38 71.96 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.214 0.53 . . . . 0.0 110.231 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.6 mt -61.33 -29.26 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.17 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 t -78.61 -20.36 50.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.723 0.297 . . . . 0.0 111.045 -178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -70.53 -5.98 32.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.715 -175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.9 mt -80.85 -21.43 40.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.784 -0.189 . . . . 0.0 110.99 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.443 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.2 t70 71.93 -38.9 0.43 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.226 0.61 . . . . 0.0 111.309 -175.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 82' ' ' LEU . 82.5 mttt -61.1 -28.79 69.35 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 123.635 0.774 . . . . 0.0 112.037 -178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.0 p -78.1 135.88 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 0.0 110.664 -178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.4 m -104.19 -30.1 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.795 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.552 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 50.8 tt0 -138.42 115.18 10.69 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 -178.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.9 p -102.34 123.01 45.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.515 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.734 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.1 mp -115.51 116.83 28.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -153.27 67.42 0.32 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.654 -0.979 . . . . 0.0 110.654 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.415 -177.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 59.62 -118.67 15.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.049 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -84.85 146.32 27.37 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 83.0 mtp -63.06 115.55 18.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.793 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.557 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 56.1 Cg_endo -69.53 93.55 0.5 Allowed 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.396 2.064 . . . . 0.0 111.657 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -61.13 108.47 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.275 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 61.17 19.69 10.27 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.303 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 5' ' ' PRO . 24.1 t -113.82 148.88 35.83 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 40.5 ttmt 59.06 41.36 20.85 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 121.362 0.601 . . . . 0.0 109.68 -175.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 74.36 127.21 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.661 -175.487 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.83 166.6 11.77 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.583 2.189 . . . . 0.0 111.136 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.4 m -65.54 109.25 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.967 0.413 . . . . 0.0 110.551 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.3 mm -101.66 119.93 50.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.0 mm -96.2 118.55 42.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.791 0.329 . . . . 0.0 111.202 -175.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -101.69 146.94 33.12 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.488 173.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -77.88 167.7 77.93 Favored 'Cis proline' 0 C--N 1.352 0.724 0 C-N-CA 124.178 -1.176 . . . . 0.0 112.421 0.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.4 t -161.82 153.35 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.487 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.46 102.62 3.85 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.197 175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 16.4 t-105 -92.37 132.46 36.73 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.07 137.34 37.74 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.07 0.462 . . . . 0.0 110.972 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -125.7 115.61 20.36 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.567 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 7.4 tpp180 -79.15 109.7 13.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.94 103.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.2 mt -99.65 111.44 29.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.13 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.507 ' SD ' HD12 ' A' ' 82' ' ' LEU . 52.7 mtm -121.86 160.64 24.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.341 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.9 p -94.45 29.05 2.36 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.724 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.547 HG21 ' HD3' ' A' ' 84' ' ' LYS . 12.3 t -149.9 143.51 25.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.848 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -88.56 -11.7 44.87 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.18 79.42 6.75 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.907 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.7 t -90.15 107.5 19.17 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.091 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 31.4 p -124.76 -66.73 0.95 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.575 177.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -53.02 -33.33 51.26 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.074 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 59.3 tp -58.88 -43.21 90.89 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.473 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -75.48 -41.76 54.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.21 0.529 . . . . 0.0 110.244 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 31' ' ' SER . 69.2 mm-40 -56.36 -47.53 78.68 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.054 -178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.7 pp -62.73 -32.1 73.16 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.357 -178.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD22 ' SD ' ' A' ' 64' ' ' MET . 85.4 mt -69.0 -40.78 78.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.184 0.516 . . . . 0.0 109.993 177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.43 -19.87 63.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.88 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 35' ' ' GLU . 36.1 p -64.26 -18.12 64.26 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.703 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -92.05 -7.3 49.16 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.007 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 65.32 -3.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.895 0.878 . . . . 0.0 112.715 178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -88.44 152.3 49.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.67 160.07 51.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.669 2.246 . . . . 0.0 112.774 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -153.59 160.3 42.39 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.074 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -117.44 111.43 19.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.333 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.43 118.32 26.8 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.817 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 18.3 mm-40 -120.42 124.01 44.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.734 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -102.6 108.12 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -86.26 -67.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.966 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -149.27 142.32 24.89 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.964 0.412 . . . . 0.0 111.491 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -100.65 145.56 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 44.0 m -56.88 158.04 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.61 0.243 . . . . 0.0 111.182 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -54.97 -39.46 68.99 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.462 -176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -99.46 15.71 25.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.065 0.459 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.46 17.91 8.89 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.451 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -67.57 -49.62 62.3 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.711 0.291 . . . . 0.0 111.059 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 70.3 m-85 -112.78 151.84 29.86 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.078 0.466 . . . . 0.0 110.243 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.34 116.96 22.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -90.37 112.28 23.81 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.101 0.477 . . . . 0.0 111.233 -174.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -105.7 165.42 11.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.118 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.571 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 4.0 t30 -142.77 122.31 13.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.282 177.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.0 t -107.19 119.36 56.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 177.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.0 m -115.55 110.83 19.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.719 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.2 ptm -143.04 159.15 42.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.324 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.21 139.15 41.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.462 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 m -121.92 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.5 t -82.28 -31.29 30.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.665 -175.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -150.06 177.06 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.573 0.701 . . . . 0.0 112.101 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -60.77 -45.46 94.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.711 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -57.87 -41.21 82.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.072 -174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -64.73 -52.43 57.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.498 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 72' ' ' ARG . 13.0 ptt180 -56.33 -34.93 67.04 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.988 -173.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -81.65 -37.8 26.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 24.4 tt0 -62.25 -47.12 85.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.317 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.0 mt -59.45 -40.81 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.373 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -56.96 -44.5 82.66 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.062 176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 53.5 mt-30 -65.59 -42.98 91.08 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.54 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -55.56 -45.32 77.3 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.461 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.616 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.3 mt -62.37 -28.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.572 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.6 t -76.89 -17.31 59.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.8 mt-30 -85.71 -0.56 55.51 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.9 mt -73.99 -17.17 61.03 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 121.041 -0.264 . . . . 0.0 110.942 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 13.4 t70 74.38 -27.48 0.19 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.117 0.567 . . . . 0.0 111.693 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.547 ' HD3' HG21 ' A' ' 27' ' ' THR . 31.5 mttm -89.42 -3.25 58.49 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.034 0.534 . . . . 0.0 111.741 -175.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' ' 80' ' ' SER . 10.1 p -89.98 147.04 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.72 -177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.38 -23.06 2.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.468 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -160.26 137.93 9.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.671 -0.241 . . . . 0.0 110.737 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 22' ' ' ARG . 11.5 p -141.4 115.76 9.46 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.0 mp -104.5 116.38 32.0 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -156.88 37.53 0.57 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.079 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.619 -178.684 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.94 -118.36 2.28 Favored Glycine 0 C--N 1.33 0.239 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -65.22 126.76 29.17 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtp -104.22 107.74 58.25 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.012 -175.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -58.29 -26.7 78.08 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.608 2.205 . . . . 0.0 111.512 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -114.28 90.56 3.37 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.791 174.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.27 150.71 45.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.242 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -97.14 128.18 43.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.088 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -127.02 175.54 8.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.721 -176.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.3 mmpt? -115.56 130.31 24.43 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.765 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.03 133.23 52.0 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.513 2.142 . . . . 0.0 111.945 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -78.36 111.24 14.15 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.904 0.383 . . . . 0.0 110.544 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mm -88.68 129.21 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.661 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.0 mp -78.81 133.05 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -175.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -132.11 129.68 21.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.498 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 5.7 Cg_exo -76.08 155.82 98.61 Favored 'Cis proline' 0 C--N 1.352 0.718 0 C-N-CA 124.15 -1.187 . . . . 0.0 112.947 -0.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.44 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 45.6 t -170.36 176.91 4.29 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.32 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 69.9 mt -86.26 134.3 33.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 0.0 110.747 -177.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.5 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.0 t-105 -125.71 129.83 50.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.696 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 119.02 29.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.927 0.394 . . . . 0.0 111.444 -178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.6 m-85 -99.06 144.7 27.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.662 176.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.769 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.1 tpp85 -109.26 113.52 26.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG12 ' HG3' ' A' ' 25' ' ' MET . 21.7 t -112.44 107.93 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.741 -174.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.85 105.54 17.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.96 0.409 . . . . 0.0 110.171 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 71.6 mtp -107.24 170.42 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.138 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -101.09 12.2 38.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.15 0.5 . . . . 0.0 110.61 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.498 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.1 t -150.91 163.89 37.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.779 -176.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 50.3 mtmt -99.21 4.27 46.66 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.967 0.413 . . . . 0.0 110.143 173.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -79.28 79.8 5.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.471 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.4 t -98.2 100.57 11.88 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.628 0.728 . . . . 0.0 109.74 177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.491 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 22.7 t -126.39 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.561 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.517 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.6 m -50.59 -36.27 34.12 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.232 0.539 . . . . 0.0 110.465 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.7 tp -58.19 -43.23 87.43 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.839 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . 49.2 mtmt -75.41 -37.92 60.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.775 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 31' ' ' SER . 67.1 mt-10 -61.55 -44.48 96.97 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.026 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.0 pp -61.95 -30.53 70.98 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 34' ' ' LYS . 56.9 mt -69.61 -43.09 73.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.023 0.439 . . . . 0.0 109.828 176.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.08 -31.43 70.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.646 -177.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 56.8 p -59.41 -28.02 66.55 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.591 0.234 . . . . 0.0 111.348 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.578 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 94.1 m-85 -80.37 -4.16 52.46 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.813 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 59.78 21.85 10.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.783 176.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -121.34 151.42 56.1 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.61 150.19 88.6 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.547 2.164 . . . . 0.0 112.485 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -138.18 163.08 32.61 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.419 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 3.6 tmmm? -118.65 114.46 22.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -103.4 107.02 17.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -120.64 132.29 55.04 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.805 0.336 . . . . 0.0 111.132 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -96.39 117.15 30.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -75.33 -70.94 0.39 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.806 0.336 . . . . 0.0 110.806 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -174.59 165.24 3.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.518 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 t -94.92 145.38 24.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.18 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.3 t -64.19 162.16 15.06 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 53' ' ' LYS . 4.7 ttmp? -65.93 -31.28 72.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 110.508 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -74.67 -11.62 60.23 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 10.31 6.4 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.281 0.633 . . . . 0.0 112.195 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -87.81 -27.4 22.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.849 0.356 . . . . 0.0 110.559 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -118.89 119.47 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.919 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -103.94 125.87 50.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.785 176.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.2 t -95.28 118.97 32.98 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.943 0.401 . . . . 0.0 111.313 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 96.2 m-85 -111.66 155.38 23.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.945 174.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.432 HD22 ' HE3' ' A' ' 45' ' ' LYS . 11.9 t30 -133.59 121.73 22.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 72.3 t -122.94 119.52 58.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.803 -173.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.585 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 80.0 p -114.38 133.69 55.52 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.539 ' SD ' HG21 ' A' ' 75' ' ' ILE . 24.8 ptm -142.6 164.74 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 52.0 mt-10 -70.63 115.61 9.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.559 179.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 m -98.29 126.25 51.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.539 ' HB2' ' HG3' ' A' ' 71' ' ' GLU . 18.0 m -75.92 -36.83 59.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.076 0.465 . . . . 0.0 110.524 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.58 178.56 6.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.958 -175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 43.9 tt0 -58.13 -44.57 87.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.191 -174.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 m -57.4 -35.74 70.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.539 ' HG3' ' HB2' ' A' ' 67' ' ' SER . 33.4 mm-40 -64.49 -50.45 67.39 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.665 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.7 ptt180 -59.9 -31.07 69.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.103 -176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.1 m-20 -66.28 -57.29 7.84 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.666 176.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 32.4 tt0 -55.25 -50.56 69.17 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.163 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' SD ' ' A' ' 64' ' ' MET . 78.8 mt -56.81 -43.08 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.455 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.48 -41.61 85.65 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.335 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 46.2 mt-30 -67.86 -39.38 83.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.47 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.3 mmtp -58.37 -41.79 85.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.312 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.7 mt -59.8 -30.83 45.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.222 -175.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.1 p -80.75 -10.12 59.75 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 122.144 -0.347 . . . . 0.0 111.783 -176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -78.11 7.85 5.64 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -82.67 -26.18 32.34 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.519 -0.178 . . . . 0.0 110.519 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 72.37 -39.45 0.45 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.612 0.765 . . . . 0.0 111.353 -175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.498 ' HD3' HG21 ' A' ' 27' ' ' THR . 13.3 ptpt -75.09 8.07 2.85 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.713 0.405 . . . . 0.0 111.252 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.7 p -109.24 131.83 58.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.7 m -99.13 -35.43 4.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -140.18 133.11 29.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.942 0.401 . . . . 0.0 110.809 -176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.7 p -123.18 116.32 23.22 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.982 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.769 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mp -107.08 144.94 33.03 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.63 -30.79 59.42 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.052 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--O 1.25 1.1 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.985 178.125 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.79 147.04 7.18 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.182 -0.532 . . . . 0.0 111.782 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -88.03 152.2 22.21 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.442 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 38.0 mtm -93.37 163.64 24.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 4' ' ' MET . 89.9 Cg_exo -43.82 -31.67 3.74 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.934 2.423 . . . . 0.0 112.936 178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -136.18 105.08 5.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.166 0.508 . . . . 0.0 110.802 176.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.54 19.39 19.11 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.286 174.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.2 m -62.52 142.51 57.92 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.442 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -87.24 149.35 24.64 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.783 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 65.6 mmtt -92.6 162.16 30.21 Favored Pre-proline 0 C--O 1.234 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.819 -177.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -72.93 107.61 2.39 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.639 2.226 . . . . 0.0 111.327 175.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 m -79.68 110.8 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.041 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.7 mm -81.84 111.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.8 mt -87.11 105.48 15.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.562 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -82.75 149.65 60.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.887 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.3 Cg_exo -78.18 157.82 93.85 Favored 'Cis proline' 0 C--N 1.353 0.796 0 C-N-CA 124.26 -1.142 . . . . 0.0 112.664 1.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.5 t -165.75 158.67 15.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.148 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -74.29 142.32 45.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.99 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -130.07 137.94 50.47 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.99 129.88 45.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.28 0.363 . . . . 0.0 110.503 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 73.5 m-85 -117.33 119.49 35.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.865 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.672 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 16.1 tpt180 -83.47 109.73 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG22 HG21 ' A' ' 79' ' ' ILE . 39.1 t -116.09 111.56 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.353 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 60.4 mt -107.15 112.61 40.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 58.4 mtm -116.95 162.76 17.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.1 p -92.31 14.29 16.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.356 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -144.37 153.27 41.79 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.984 0.421 . . . . 0.0 111.226 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 3.7 mmmp? -82.22 -9.84 59.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.094 173.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -76.2 79.31 3.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.285 0.564 . . . . 0.0 109.897 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.9 t -87.51 99.21 11.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.1 p -130.51 -66.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.6 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.6 m -48.83 -36.53 17.01 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.738 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 61.9 tp -61.07 -48.89 79.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.892 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' A' ' 37' ' ' LEU . 42.9 mtmt -74.86 -31.05 61.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 mm-40 -55.58 -51.15 68.1 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.141 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 78' ' ' LYS . 2.6 pp -62.21 -30.31 71.0 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.097 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD22 ' SD ' ' A' ' 64' ' ' MET . 55.8 mt -72.79 -44.61 61.33 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.223 0.535 . . . . 0.0 110.418 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -67.22 -23.11 65.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.818 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 35' ' ' GLU . 77.0 p -65.63 -16.91 64.18 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 111.218 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -85.16 -10.15 57.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.542 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 61.85 12.41 4.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.603 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 5.1 ptp180 -99.9 155.25 36.66 Favored Pre-proline 0 C--O 1.235 0.292 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -73.24 146.06 39.88 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.072 . . . . 0.0 111.748 177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -142.59 151.77 41.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.366 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 63' ' ' SER . 35.9 ttpt -103.75 110.07 22.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.764 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -93.13 122.7 35.78 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 46.8 mt-10 -124.63 139.69 53.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.654 0.264 . . . . 0.0 111.607 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -98.65 108.14 20.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 166.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.4 mmpt? -78.64 -65.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.961 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -163.83 161.43 23.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.322 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -119.8 146.85 45.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.759 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.473 ' OG ' ' HB2' ' A' ' 57' ' ' PHE . 15.1 m -56.45 160.37 3.19 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.298 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -65.55 -26.49 67.9 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.06 0.457 . . . . 0.0 110.246 -178.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -73.95 -12.17 60.57 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.704 174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.69 20.83 10.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.058 0.543 . . . . 0.0 111.621 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -98.02 -28.96 13.54 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HB2' ' OG ' ' A' ' 52' ' ' SER . 65.1 m-85 -113.1 135.36 53.89 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -122.25 122.28 38.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.351 -176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.9 m -93.0 113.32 25.57 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 -179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -105.43 154.62 20.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.743 175.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -127.68 122.36 32.77 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.0 t -107.36 119.73 57.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.381 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.43 ' HB2' ' HE2' ' A' ' 45' ' ' LYS . 15.6 m -111.83 107.98 17.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.594 ' SD ' HD22 ' A' ' 37' ' ' LEU . 26.8 ptm -131.67 163.05 28.98 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.525 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 30.2 mt-10 -76.95 150.02 35.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 72' ' ' ARG . 15.3 m -135.76 126.76 43.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 19.5 t -87.35 -20.69 26.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.367 . . . . 0.0 110.297 -176.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.446 ' OD1' ' HB2' ' A' ' 70' ' ' SER . 9.9 p30 -146.64 179.99 7.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.379 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HG3' ' NE ' ' A' ' 72' ' ' ARG . 33.4 tt0 -79.26 -30.65 43.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.853 -176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.446 ' HB2' ' OD1' ' A' ' 68' ' ' ASN . 27.7 m -60.71 -40.35 91.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.415 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.595 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 33.6 mt-10 -57.8 -55.05 39.92 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.152 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 6.6 ppt_? -63.87 -13.48 45.44 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -95.68 -40.55 9.33 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.957 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 12.5 pt-20 -70.67 -44.17 67.59 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.845 0.355 . . . . 0.0 110.29 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.56 HD13 ' SD ' ' A' ' 64' ' ' MET . 67.3 mt -56.26 -43.41 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.377 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.63 -38.51 69.61 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.585 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -73.21 -37.4 66.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.418 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 78.8 mttt -67.08 -34.99 78.83 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.927 179.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -62.47 -28.49 44.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.606 176.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.9 m -79.56 -1.15 36.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.295 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.72 1.07 48.12 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 1.6 mt -73.73 -24.84 59.96 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.924 -0.311 . . . . 0.0 110.533 -176.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 32.1 t70 73.16 -37.0 0.37 Allowed 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.779 0.674 . . . . 0.0 111.162 -176.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 82' ' ' LEU . 70.0 mttt -71.08 -14.41 62.3 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.265 0.626 . . . . 0.0 111.078 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.79 136.76 22.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.636 -177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.2 m -115.75 -12.34 11.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.568 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.1 tp60 -156.56 137.05 13.09 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.721 0.296 . . . . 0.0 111.183 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.0 p -138.87 121.79 16.63 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.3 mp -116.87 137.04 52.48 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.05 -2.6 56.99 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.418 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.719 -0.658 . . . . 0.0 109.672 -179.465 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.05 168.07 13.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.348 -0.454 . . . . 0.0 112.033 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -101.14 93.01 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.271 0.558 . . . . 0.0 109.578 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.1 mtp -82.65 134.13 48.14 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.454 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.88 111.51 3.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.485 2.123 . . . . 0.0 111.944 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 m -59.36 121.42 11.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -75.17 166.11 24.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.769 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.6 t -69.1 -30.53 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.886 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.7 144.6 26.17 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 68.96 127.04 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.496 0 O-C-N 123.719 0.637 . . . . 0.0 110.328 -173.237 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.97 142.91 99.44 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.455 2.103 . . . . 0.0 111.583 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.8 m -70.25 110.3 5.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -82.39 140.26 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.841 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.0 mm -95.26 126.83 47.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 -172.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -132.99 141.93 42.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.395 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 8.6 Cg_exo -74.09 152.87 98.78 Favored 'Cis proline' 0 C--N 1.351 0.674 0 C-N-CA 124.243 -1.149 . . . . 0.0 112.528 -1.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.8 t -161.51 161.11 29.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.3 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.7 106.66 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.588 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 56.8 t-105 -91.8 147.74 22.76 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -102.87 138.62 39.52 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.138 -173.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 85.2 m-85 -132.81 106.95 8.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.297 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.819 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 6.2 tpp180 -83.35 110.74 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 177.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG22 HG21 ' A' ' 79' ' ' ILE . 36.3 t -108.89 117.08 53.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -173.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.2 mt -109.31 111.38 35.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 120.662 0.268 . . . . 0.0 110.4 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.431 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 42.9 mtm -118.74 163.7 16.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.519 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -98.1 20.68 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 84' ' ' LYS . 9.3 t -147.37 154.36 40.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.464 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -90.2 -11.63 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.715 174.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -76.9 79.37 3.47 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 -178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.9 t -97.31 100.64 12.09 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.705 0.764 . . . . 0.0 110.097 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.423 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 30.9 t -123.39 -64.87 1.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.661 179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.6 m -50.29 -31.51 14.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.476 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.6 tp -59.29 -43.66 92.55 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.367 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 8.8 mtmp? -73.62 -43.43 59.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.035 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 39' ' ' THR . 12.3 mm-40 -55.44 -46.37 76.74 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.97 -174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.03 -32.16 73.46 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.242 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' SD ' ' A' ' 64' ' ' MET . 49.1 mt -71.32 -41.76 69.47 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.373 0.606 . . . . 0.0 109.663 177.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.64 -22.67 63.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.027 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.3 p -63.21 -31.35 72.48 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.95 0.405 . . . . 0.0 110.504 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.517 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 95.4 m-85 -74.01 -9.8 59.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.346 177.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 60.41 19.33 8.99 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.457 177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 12.1 ptp180 -112.0 149.9 41.59 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -63.31 138.78 68.09 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.427 2.085 . . . . 0.0 112.342 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -131.94 154.41 49.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 26.4 tttm -107.37 107.82 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.958 178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.2 tp -95.5 126.96 41.15 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.356 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 54.7 mm-40 -126.21 130.96 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.161 -177.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -111.4 108.97 18.72 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 167.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -81.26 -65.08 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.123 -174.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -176.71 164.43 2.44 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 t -84.37 145.56 28.15 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.198 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m -65.75 163.6 16.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.345 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HD3' ' O ' ' A' ' 53' ' ' LYS . 10.3 tmtt? -57.99 -34.52 70.07 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.188 0.518 . . . . 0.0 109.665 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -71.35 -16.05 62.41 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.25 -38.32 0.39 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.701 0.8 . . . . 0.0 112.408 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -57.45 -21.08 34.73 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.824 0.449 . . . . 0.0 111.66 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -113.45 143.17 44.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -128.65 131.44 48.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.542 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.4 m -92.81 111.54 23.18 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.107 0.48 . . . . 0.0 111.205 -177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -106.54 164.29 12.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 5.5 t30 -150.82 135.67 17.4 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 177.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.9 140.61 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.162 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.514 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 11.1 m -134.09 107.31 7.67 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 175.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 75' ' ' ILE . 26.8 ptm -130.95 156.66 44.71 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.661 0.267 . . . . 0.0 110.752 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.51 119.92 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.779 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG12 HD12 ' A' ' 75' ' ' ILE . 27.7 m -106.82 128.09 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 15.7 m -67.36 -30.4 70.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.406 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.8 p30 -166.13 -175.71 3.43 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 37.4 tt0 -58.91 -41.11 86.49 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.114 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.4 m -56.59 -41.59 77.25 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.464 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 67' ' ' SER . 35.2 mm-40 -61.0 -56.12 24.82 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.554 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 69' ' ' GLU . 14.6 ptt180 -55.97 -34.29 65.57 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.118 0.485 . . . . 0.0 110.528 -174.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -75.26 -40.32 58.93 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.1 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 5.8 pt-20 -71.75 -42.69 66.93 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.177 -176.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.623 HG21 ' SD ' ' A' ' 64' ' ' MET . 73.7 mt -64.55 -40.01 87.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.679 -178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -52.59 -41.01 63.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.234 175.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 46.2 mt-30 -73.83 -39.07 64.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 -179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 73.3 mmtt -53.98 -43.09 69.68 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.322 0.582 . . . . 0.0 109.723 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.2 mt -65.84 -28.76 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.259 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.0 t -75.68 -19.62 59.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.853 0.359 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 23.0 mt-30 -80.71 1.61 29.45 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -172.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.5 mt -74.37 -20.55 60.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.802 -176.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 74.24 -34.62 0.28 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.705 0.628 . . . . 0.0 111.577 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.528 ' HE2' HG21 ' A' ' 27' ' ' THR . 25.1 mtpt -78.42 -9.16 59.18 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.016 0.436 . . . . 0.0 110.731 -178.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 8.5 p -91.06 139.49 17.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.445 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.4 -30.48 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.326 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -149.01 132.92 17.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.917 0.389 . . . . 0.0 110.98 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 26.1 p -122.09 116.23 23.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.303 177.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.5 mp -105.26 107.94 19.19 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -134.36 41.95 1.41 Allowed Glycine 0 C--O 1.234 0.116 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.535 -178.148 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.87 -108.97 1.78 Allowed Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.197 -0.525 . . . . 0.0 112.709 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -90.16 112.15 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt -65.43 155.84 83.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.211 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.05 -40.67 59.04 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.6 2.2 . . . . 0.0 111.505 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -73.87 104.06 4.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.824 174.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -61.38 -31.98 71.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.041 0.448 . . . . 0.0 109.968 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -67.48 101.8 1.04 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.673 174.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -63.98 136.91 57.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.296 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -64.42 124.35 85.56 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.64 110.52 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.672 2.248 . . . . 0.0 112.056 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.4 m -63.92 109.69 1.86 Allowed 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 mm -83.28 133.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.336 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.3 mm -79.57 124.09 37.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -110.31 140.52 22.54 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.762 177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -82.02 166.58 70.99 Favored 'Cis proline' 0 C--N 1.35 0.634 0 C-N-CA 123.595 -1.419 . . . . 0.0 113.222 4.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.9 t -161.08 154.94 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.112 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.7 mt -80.78 103.43 10.61 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.95 0.405 . . . . 0.0 110.2 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 26.9 t-105 -91.69 142.47 27.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.914 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.99 129.59 51.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.79 114.93 26.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.886 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 10.6 tpt180 -83.24 110.03 17.73 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 25' ' ' MET . 42.9 t -108.7 105.47 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.653 -175.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.5 mt -100.7 104.71 16.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 53.1 mtm -113.92 161.9 17.05 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.439 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -88.83 -0.35 57.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.816 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.494 HG22 ' HB3' ' A' ' 84' ' ' LYS . 13.5 t -130.33 153.86 48.25 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.076 179.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 51.1 mtmt -95.95 6.46 48.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.256 0.551 . . . . 0.0 109.713 173.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -75.34 75.74 2.44 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.216 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.463 HG21 HD21 ' A' ' 46' ' ' LEU . 4.8 t -87.21 99.25 11.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 121.919 0.866 . . . . 0.0 109.205 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 p -137.72 -59.75 0.66 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.866 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.423 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.5 m -52.55 -35.93 54.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.042 173.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 55.2 tp -63.84 -41.15 97.9 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.938 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 54.0 mtmt -72.07 -42.18 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.689 -178.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 39' ' ' THR . 72.3 mm-40 -51.5 -49.05 62.63 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.326 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.6 pp -64.99 -32.65 74.49 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.579 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD22 ' SD ' ' A' ' 64' ' ' MET . 80.4 mt -72.23 -40.53 67.68 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.004 0.431 . . . . 0.0 110.688 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 43.7 mt-10 -70.76 -22.46 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.986 -174.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 35' ' ' GLU . 71.5 p -58.49 -32.07 68.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.1 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -78.6 -4.7 50.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.617 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 56.9 23.62 8.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.735 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 7.4 ptp180 -111.56 156.97 40.55 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.14 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.58 144.51 60.84 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.479 2.12 . . . . 0.0 112.37 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.0 p90 -147.62 155.96 42.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.984 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 85.2 tttt -115.68 123.07 47.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD21 HG21 ' A' ' 30' ' ' THR . 55.7 tp -103.26 116.05 31.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -125.95 149.54 48.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 111.778 -177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -105.38 110.3 22.6 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 168.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.0 mmpt? -82.95 -71.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 111.019 -175.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -142.57 176.86 8.7 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -147.25 145.14 29.33 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.805 175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.3 t -61.35 158.92 13.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.783 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -62.67 -29.43 70.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.969 -178.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -89.01 -2.67 58.69 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.843 0.354 . . . . 0.0 110.346 179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.71 17.08 8.38 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.479 0.711 . . . . 0.0 112.337 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -77.21 -29.73 54.37 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.013 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -112.93 116.19 29.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.412 -175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -106.04 115.16 29.75 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.3 m -90.56 112.87 24.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-85 -104.73 161.05 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.928 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.48 122.45 20.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.66 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 86.5 t -115.92 119.5 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.226 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.566 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 69.8 p -107.26 111.44 23.83 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.554 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.4 ptm -139.47 162.84 34.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.746 0.308 . . . . 0.0 110.277 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 38.6 mt-10 -77.43 148.82 35.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.69 126.65 54.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 168.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.517 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 32.3 t -89.53 -27.91 19.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.298 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.522 HD22 ' N ' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -154.28 170.83 20.35 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.698 176.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -66.14 -26.66 67.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.222 -174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.2 t -52.6 -39.77 61.98 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.129 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -76.08 -42.45 47.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.2 176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HD2' ' O ' ' A' ' 72' ' ' ARG . 5.0 tmm_? -56.78 -34.77 67.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.048 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -82.93 -53.42 5.86 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.9 tt0 -53.85 -50.34 66.47 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.41 -175.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 ' O ' HG13 ' A' ' 79' ' ' ILE . 84.5 mt -60.06 -43.73 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.372 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -57.53 -35.22 70.0 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.364 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 51.7 mt-30 -76.35 -38.75 55.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.583 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 34.0 mmtp -56.93 -43.85 81.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.267 0.555 . . . . 0.0 110.065 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.582 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 71.3 mt -63.46 -29.2 46.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.519 -176.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.526 ' HA ' HG11 ' A' ' 85' ' ' VAL . 63.0 p -81.59 -17.34 48.63 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.105 -0.372 . . . . 0.0 111.411 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 24.7 mt-30 -78.75 1.56 22.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.651 -176.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 7.7 mt -78.06 -26.5 48.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.535 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.9 t70 72.57 -32.13 0.24 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.401 0.68 . . . . 0.0 111.322 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.494 ' HB3' HG22 ' A' ' 27' ' ' THR . 79.2 mttt -66.6 -20.52 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.493 0.717 . . . . 0.0 110.843 176.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.526 HG11 ' HA ' ' A' ' 80' ' ' SER . 13.5 p -88.49 141.69 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.996 -176.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.05 -24.7 3.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.252 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -148.98 137.3 20.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.737 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -129.91 127.15 39.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.16 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? -110.41 107.06 16.63 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.271 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -157.5 21.14 0.4 Allowed Glycine 0 CA--C 1.517 0.174 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.248 1.022 0 C-N-CA 123.674 0.789 . . . . 0.0 109.112 179.613 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.82 -155.69 31.14 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 121.331 -0.461 . . . . 0.0 112.171 -178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -99.82 113.32 25.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.8 ptm -94.43 139.06 22.25 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.41 148.57 73.73 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 122.448 2.099 . . . . 0.0 111.632 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -81.76 101.95 10.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.957 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -78.3 91.14 4.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -74.32 127.42 32.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.712 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -146.19 138.86 25.47 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.1 mmtp 68.11 142.9 0.08 OUTLIER Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.654 0.596 . . . . 0.0 110.896 -174.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.1 133.47 33.33 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.378 2.052 . . . . 0.0 111.637 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.3 m -66.32 110.67 3.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.002 0.429 . . . . 0.0 110.318 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.4 mm -80.63 135.45 25.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.704 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 48.7 mm -86.43 104.29 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.474 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -95.99 138.84 21.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.155 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.561 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 85.4 Cg_endo -85.08 160.38 64.9 Favored 'Cis proline' 0 C--N 1.348 0.515 0 C-N-CA 123.564 -1.431 . . . . 0.0 113.286 0.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -162.39 158.33 23.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.251 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 78.4 mt -73.34 110.36 7.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.766 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 21.3 t-105 -91.96 134.36 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -95.72 118.66 32.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.781 0.325 . . . . 0.0 110.657 -175.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -109.4 145.46 36.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.957 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.775 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 15.7 tpp85 -116.48 113.55 22.97 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.527 HG12 ' HG3' ' A' ' 25' ' ' MET . 23.0 t -110.83 103.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -173.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.44 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 69.6 mt -92.54 105.18 16.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 120.995 0.426 . . . . 0.0 110.115 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.527 ' HG3' HG12 ' A' ' 23' ' ' VAL . 82.0 mtp -108.0 153.53 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.437 -177.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.1 p -93.29 21.18 6.26 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.129 0.49 . . . . 0.0 110.839 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.449 HG22 ' HB3' ' A' ' 84' ' ' LYS . 15.4 t -155.65 146.77 22.5 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.148 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.4 mtmp? -89.08 -1.48 58.12 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.147 0.499 . . . . 0.0 109.707 172.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -76.83 72.36 3.42 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.512 0.672 . . . . 0.0 109.334 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -87.07 124.9 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.108 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 p -145.17 -70.62 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.114 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.567 ' HB ' HD22 ' A' ' 82' ' ' LEU . 1.3 m -51.33 -32.82 26.77 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.969 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 57.4 tp -57.42 -45.81 84.22 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.966 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -75.03 -40.5 60.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.894 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -58.09 -43.92 87.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.213 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -65.27 -31.37 72.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 110.422 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.638 HD22 ' SD ' ' A' ' 64' ' ' MET . 61.2 mt -71.47 -40.41 70.28 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.337 0.589 . . . . 0.0 110.161 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -60.94 -27.11 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.918 -178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.9 p -61.81 -24.51 66.92 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -84.04 -7.65 59.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 57.34 27.46 13.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.567 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.542 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.5 ptp180 -119.15 153.46 53.15 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.725 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.01 155.09 57.68 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.508 2.139 . . . . 0.0 112.133 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -147.85 156.87 43.17 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.773 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 0.1 OUTLIER -101.28 117.74 35.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.617 177.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.1 tp -109.31 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.051 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -138.91 155.52 48.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.077 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -103.48 128.63 50.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.513 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -81.87 -77.45 0.22 Allowed 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.783 0.325 . . . . 0.0 110.665 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -172.47 152.29 2.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.7 -175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.567 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -92.19 136.93 32.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.9 m -64.42 87.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.34 -176.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.688 ' HG3' ' H ' ' A' ' 54' ' ' ASN . 10.0 ptpp? 35.08 -71.23 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.334 1.454 . . . . 0.0 114.489 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.688 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 60.8 t30 -66.34 -9.75 36.32 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.932 0.493 . . . . 0.0 111.026 -176.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 73.26 14.77 4.47 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.71 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -76.59 -28.75 56.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.612 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.55 137.13 54.43 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.238 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -117.01 116.52 27.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 t -90.01 114.87 26.81 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.054 0.454 . . . . 0.0 110.466 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' O ' ' HD3' ' A' ' 22' ' ' ARG . 94.6 m-85 -104.9 159.51 15.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.679 176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -131.32 122.56 26.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.029 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.21 118.87 57.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.149 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.531 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 6.8 m -111.82 107.15 16.1 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.665 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.0 ptm -129.31 157.16 42.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.405 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 32.5 mt-10 -70.56 143.21 51.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.977 -178.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.7 m -128.12 126.94 67.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 167.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 18.2 t -96.54 -11.23 25.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.716 0.293 . . . . 0.0 110.431 -177.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 7.8 p30 -159.7 179.44 8.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.253 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -78.25 -30.08 48.47 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.463 -173.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.445 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 34.4 t -59.12 -44.47 92.02 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -61.29 -42.33 98.47 Favored 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.354 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.429 HH21 ' CB ' ' A' ' 91' ' ' SER . 51.8 ttt180 -54.31 -51.95 63.05 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 53.9 m-80 -72.23 -35.32 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.994 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 31.0 tt0 -66.3 -52.54 46.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.109 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.665 HD13 ' SD ' ' A' ' 64' ' ' MET . 89.6 mt -57.94 -41.99 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.844 -178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -54.84 -40.36 69.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 74.6 mt-30 -70.97 -43.44 68.08 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.474 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 35.6 mmtp -55.12 -43.31 73.96 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.185 0.517 . . . . 0.0 110.539 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.631 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.7 mt -60.79 -29.26 44.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.148 -179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -82.75 -3.03 55.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.612 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -93.19 1.14 57.24 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.2 mt -76.63 -23.34 53.34 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.071 -175.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 17.7 t70 73.24 -40.64 0.48 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.178 0.591 . . . . 0.0 110.527 -172.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.449 ' HB3' HG22 ' A' ' 27' ' ' THR . 92.8 mttt -58.29 -28.4 64.95 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.305 0.642 . . . . 0.0 111.427 177.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 11.5 p -84.41 140.4 16.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.9 m -112.36 -27.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.876 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' HG3' HD11 ' A' ' 89' ' ' LEU . 50.4 tp60 -141.14 122.54 14.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.521 -177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 19.2 p -112.68 127.44 56.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.337 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.775 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.3 mp -123.01 164.44 18.55 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.99 0.424 . . . . 0.0 110.236 176.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.46 -25.19 0.76 Allowed Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.429 ' CB ' HH21 ' A' ' 72' ' ' ARG . 34.9 m . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.684 -0.674 . . . . 0.0 109.595 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.664 0.268 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.37 -118.47 0.93 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -142.41 98.51 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.8 ptm -72.63 118.93 72.18 Favored Pre-proline 0 C--O 1.237 0.403 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.56 139.37 31.14 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.626 2.217 . . . . 0.0 112.053 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -72.52 133.17 44.65 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.998 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.05 173.44 6.52 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.163 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.7 p -84.57 47.58 1.39 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.539 0.685 . . . . 0.0 109.616 175.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -65.63 157.7 29.21 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.613 -176.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.4 mmpt? -69.52 149.04 97.11 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.897 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.27 155.28 68.0 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.339 2.026 . . . . 0.0 111.217 174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -68.88 110.92 4.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.719 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -108.94 110.42 31.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -85.57 141.38 14.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.526 -173.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.409 ' OH ' ' HD3' ' A' ' 72' ' ' ARG . 96.4 m-85 -134.37 132.76 21.13 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.268 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.5 Cg_endo -75.14 157.8 99.23 Favored 'Cis proline' 0 C--N 1.354 0.861 0 C-N-CA 123.926 -1.281 . . . . 0.0 113.339 0.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -171.06 163.34 7.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.124 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -76.91 138.2 39.57 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.431 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -120.88 139.19 53.54 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.15 119.19 32.63 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.649 -177.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -110.75 138.46 47.12 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.739 0.416 . . . . 0.0 110.56 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 8.3 tpp180 -111.16 110.94 21.68 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 26.3 t -113.91 108.44 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.779 -174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.3 mt -102.51 111.21 31.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.501 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 79.5 mtp -115.24 165.47 12.91 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 p -98.49 14.62 27.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.442 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -157.62 161.22 38.65 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 110.183 -0.302 . . . . 0.0 110.183 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 47.0 mtpt -97.66 -8.36 28.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.114 0.483 . . . . 0.0 109.916 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.11 79.45 5.51 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 30' ' ' THR . 9.7 t -111.95 104.17 12.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.587 -176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.551 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 26.2 m -112.15 -49.04 2.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.226 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 m -54.29 -35.85 63.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.123 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' ' 82' ' ' LEU . 52.0 tp -59.35 -47.33 85.81 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.388 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE2' ' HA ' ' A' ' 31' ' ' SER . 48.4 mtmt -66.35 -45.37 80.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 39' ' ' THR . 46.6 mt-10 -54.03 -47.37 71.64 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.842 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.8 pp -66.61 -33.13 74.98 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.677 HD22 ' SD ' ' A' ' 64' ' ' MET . 84.4 mt -69.88 -39.11 76.48 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 44.9 mt-10 -71.08 -22.35 62.12 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.091 -175.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 35' ' ' GLU . 82.7 p -63.64 -23.2 67.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.924 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 75' ' ' ILE . 86.3 m-85 -82.94 -8.06 59.6 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 62.56 22.28 13.2 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.654 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.444 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 8.8 ptp180 -118.61 156.05 51.76 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 109.98 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.17 158.51 54.67 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.626 2.218 . . . . 0.0 112.677 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.25 173.36 16.96 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 61' ' ' ASN . 19.6 ttmm -114.96 143.2 45.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.511 174.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.8 tp -127.53 106.37 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.38 120.36 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 111.159 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -74.78 127.2 32.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.064 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -90.61 -73.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.667 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -155.66 148.55 24.32 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.891 0.377 . . . . 0.0 110.771 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.1 t -87.54 146.54 25.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.017 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 35.8 t -59.29 170.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.041 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -55.36 -47.35 75.9 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.547 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -82.93 1.66 38.48 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.027 0.441 . . . . 0.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 64.2 9.41 4.75 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -86.2 -22.67 26.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.145 0.498 . . . . 0.0 110.837 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 71.1 m-85 -112.74 145.74 40.0 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -129.21 118.47 22.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.834 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.5 t -87.05 113.3 22.69 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.964 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 90.8 m-85 -105.07 157.51 17.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.237 0.541 . . . . 0.0 110.164 178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.431 HD22 ' HD2' ' A' ' 45' ' ' LYS . 5.5 t30 -117.67 121.58 41.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.48 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.87 119.39 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 p -128.23 123.98 35.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.677 ' SD ' HD22 ' A' ' 37' ' ' LEU . 21.0 ptm -146.59 160.23 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.822 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -79.14 145.94 33.43 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -126.04 127.11 70.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 171.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 42.2 m -83.96 -27.24 28.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -141.78 178.16 7.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.298 176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HG3' ' NH1' ' A' ' 72' ' ' ARG . 36.0 tt0 -78.95 -32.88 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.833 -176.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 m -56.93 -37.91 72.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.107 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.5 -39.56 88.77 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' NH1' ' HG3' ' A' ' 69' ' ' GLU . 42.6 ttp180 -54.66 -50.47 68.11 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.191 0.52 . . . . 0.0 110.347 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 7.1 m-20 -70.37 -43.93 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.258 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -51.22 -59.22 4.43 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.445 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.521 HD13 ' SD ' ' A' ' 64' ' ' MET . 69.7 mt -60.71 -38.39 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.741 -176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.23 -45.21 88.12 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.522 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 47.1 mt-30 -63.75 -44.51 93.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.216 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -60.3 -43.76 96.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.238 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 68.4 mt -58.71 -29.68 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.275 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 t -85.56 7.5 22.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.445 -176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -103.69 7.46 37.35 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 3.9 mt -72.1 -20.23 61.67 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 122.154 -0.342 . . . . 0.0 110.545 -178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 19.2 t70 73.31 -42.93 0.54 Allowed 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.999 0.812 . . . . 0.0 110.348 -172.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.411 ' H ' ' C ' ' A' ' 82' ' ' LEU . 79.9 mttt -63.15 -25.87 68.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 9.0 p -82.79 127.92 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.367 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.4 m -103.48 -16.21 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.481 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -153.85 135.92 14.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.927 0.394 . . . . 0.0 110.974 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -131.85 111.2 11.39 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.373 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.704 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.1 mm? -103.8 115.22 30.08 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.86 28.85 7.37 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.878 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.252 1.186 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -179.482 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 121.003 0.43 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.66 144.97 2.23 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.212 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.1 m80 -126.42 102.23 7.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.191 0.519 . . . . 0.0 110.135 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.48 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.3 mpp? -80.05 159.56 70.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.321 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.15 166.19 6.05 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 122.714 2.276 . . . . 0.0 112.145 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -75.63 91.64 2.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.183 0.516 . . . . 0.0 111.299 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.68 -171.17 2.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.261 172.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.5 m -74.74 68.28 1.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.192 0.52 . . . . 0.0 110.143 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 9.0 mmpt? -139.28 134.75 33.04 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.358 -0.837 . . . . 0.0 108.845 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 31.9 mmtp 70.77 151.6 0.14 Allowed Pre-proline 0 N--CA 1.468 0.471 0 O-C-N 123.779 0.674 . . . . 0.0 111.014 -176.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -61.09 104.15 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.196 1.931 . . . . 0.0 110.737 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -66.73 119.71 12.27 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.175 -176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -105.79 120.83 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.952 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.7 mt -115.52 107.28 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.084 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -74.29 152.3 87.99 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 96.1 Cg_endo -80.84 164.89 77.44 Favored 'Cis proline' 0 C--N 1.356 0.946 0 C-N-CA 123.943 -1.274 . . . . 0.0 112.991 1.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 93.3 m -155.36 149.09 25.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.231 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 mt -76.74 103.44 6.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.661 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -98.65 146.11 26.18 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.293 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -104.09 141.3 36.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 110.738 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 74.1 m-85 -128.33 116.98 20.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.175 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.677 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 4.3 tpp180 -80.69 110.98 16.7 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.3 t -112.09 107.66 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.537 -176.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.0 mt -99.3 109.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.3 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.547 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 78.8 mtp -114.17 150.58 33.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.368 -176.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 23.3 p -88.37 33.97 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.1 0.476 . . . . 0.0 110.883 178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.578 HG21 ' HE3' ' A' ' 84' ' ' LYS . 8.7 t -156.9 156.05 32.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.433 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -93.24 -9.74 38.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 171.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -87.24 83.74 7.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.277 0.561 . . . . 0.0 109.997 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.6 t -84.2 99.33 10.46 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 172.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 p -111.94 -77.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.417 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.501 ' HB ' HD22 ' A' ' 82' ' ' LEU . 6.7 m -51.21 -30.96 18.85 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 -177.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.4 tp -59.07 -53.5 57.63 Favored 'General case' 0 C--O 1.227 -0.098 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 178.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 54.4 mtmt -66.07 -38.18 87.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.474 179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 31' ' ' SER . 45.5 mm-40 -56.15 -51.0 69.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 -178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -66.41 -31.93 73.0 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -176.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' A' ' 64' ' ' MET . 95.3 mt -65.06 -42.18 94.43 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.963 0.411 . . . . 0.0 110.624 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 48.7 mt-10 -67.29 -24.77 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.874 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.9 p -64.48 -18.68 65.01 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.651 0.262 . . . . 0.0 111.517 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -82.37 -4.96 58.26 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.125 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 61.86 17.71 9.11 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.215 177.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.574 ' HD3' ' HB2' ' A' ' 65' ' ' GLU . 7.3 ptp180 -115.07 154.79 47.18 Favored Pre-proline 0 C--O 1.235 0.317 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.16 147.58 67.04 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.384 2.056 . . . . 0.0 112.1 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -137.65 172.92 12.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.444 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 58.9 tptt -135.61 122.6 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.65 107.4 16.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -119.45 129.16 54.62 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.704 0.288 . . . . 0.0 111.743 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.417 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 86.1 t80 -84.81 107.66 17.09 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 173.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -86.94 -53.42 4.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -172.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -155.45 163.7 39.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.653 0.263 . . . . 0.0 111.007 -173.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.417 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 15.1 t -128.08 145.61 50.94 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.763 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 16.5 t -62.19 160.12 13.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -62.13 -33.87 75.29 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -79.21 -10.05 59.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.306 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 58.23 17.51 4.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.225 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 26' ' ' THR . 39.3 ttmt -95.45 -26.4 15.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.488 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 78.5 m-85 -113.4 118.51 34.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.769 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -109.44 127.83 54.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.211 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -91.86 112.24 24.08 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.905 0.383 . . . . 0.0 110.962 178.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -105.79 151.15 24.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.412 174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -120.64 121.28 37.98 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 88.2 t -107.48 119.21 56.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.769 177.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -119.2 114.36 22.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.91 0.386 . . . . 0.0 110.069 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 37' ' ' LEU . 23.9 ptm -140.99 165.54 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.883 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB2' ' HD3' ' A' ' 42' ' ' ARG . 35.1 mt-10 -73.67 150.97 40.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.895 0.378 . . . . 0.0 110.767 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -136.45 126.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 167.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 38.5 t -90.49 -33.97 15.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 110.138 -176.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.3 p30 -130.63 173.86 10.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.207 0.527 . . . . 0.0 110.596 177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.64 ' HG3' HH21 ' A' ' 72' ' ' ARG . 45.0 tt0 -79.13 -26.96 42.79 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.601 -175.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.457 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 22.6 t -64.59 -39.46 93.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.412 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -57.67 -38.61 75.43 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.647 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.64 HH21 ' HG3' ' A' ' 69' ' ' GLU . 13.0 ttp180 -59.65 -26.73 65.76 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 178.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.57 -45.44 10.44 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.085 177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 33.9 tt0 -58.93 -56.24 24.75 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.101 -178.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 79' ' ' ILE . 74.1 mt -56.96 -41.46 77.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.444 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -55.56 -43.37 75.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.503 178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 26.5 mt-30 -69.17 -41.43 77.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.72 178.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 75.8 mmtt -56.34 -42.06 77.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.11 0.481 . . . . 0.0 109.999 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.571 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.1 mt -62.83 -29.42 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.988 179.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.8 t -77.96 -21.58 50.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.1 mt-30 -71.23 -10.37 59.65 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.772 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.4 mt -67.48 -35.53 79.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.393 -176.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.4 t70 73.18 -37.65 0.39 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.496 0.719 . . . . 0.0 111.167 -173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.578 ' HE3' HG21 ' A' ' 27' ' ' THR . 14.2 mtpp -57.37 -27.18 62.07 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.11 175.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 8.9 p -84.35 139.96 16.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.606 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 29.9 m -109.45 -24.82 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.348 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -141.43 119.35 11.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.5 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 38.8 p -112.01 122.74 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.203 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 6.7 mp -107.29 124.99 50.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.433 176.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -144.98 79.74 0.24 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.573 -176.828 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.816 0.341 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.41 128.38 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.479 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -112.8 91.88 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.5 mpp? -104.06 113.06 65.64 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.257 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.37 117.29 3.96 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.687 2.258 . . . . 0.0 111.564 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -93.57 19.1 8.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.362 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.43 -40.85 72.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.204 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -118.87 32.62 6.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.273 -179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -51.73 131.05 29.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.972 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -98.84 139.77 21.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.764 173.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -67.76 124.94 12.51 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.629 2.219 . . . . 0.0 112.394 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.9 m -69.78 116.89 10.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.306 177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 mm -94.04 133.8 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mm -76.44 124.26 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.459 -175.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -135.52 129.01 18.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.392 173.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.546 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 83.0 Cg_endo -78.28 163.54 86.78 Favored 'Cis proline' 0 C--N 1.352 0.736 0 C-N-CA 123.653 -1.394 . . . . 0.0 113.031 1.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.4 t -167.54 165.36 14.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.348 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -83.77 106.94 15.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.434 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 28.5 t-105 -96.67 143.59 27.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.108 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -98.09 137.28 37.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.893 0.378 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 93.1 m-85 -124.02 119.89 30.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.137 178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 9.8 tpt180 -82.92 109.41 17.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 60' ' ' PHE . 33.2 t -109.29 104.26 16.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.23 -176.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -101.2 102.32 13.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.873 0.368 . . . . 0.0 110.493 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 85' ' ' VAL . 52.1 mtm -112.59 157.44 21.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.668 -179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -94.91 32.1 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.087 0.47 . . . . 0.0 110.592 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.572 HG21 ' HE2' ' A' ' 84' ' ' LYS . 8.8 t -153.32 155.28 36.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.335 -176.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . 3.4 mmmp? -93.97 -9.27 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -82.59 85.8 6.92 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.043 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.568 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 3.8 t -93.02 100.36 12.8 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.45 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.9 p -125.89 -64.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.835 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.5 m -52.39 -35.14 50.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.875 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 60.2 tp -58.39 -54.51 46.19 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.544 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 30' ' ' THR . 52.2 mtmt -64.42 -39.79 94.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.61 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 39' ' ' THR . 78.0 mm-40 -54.66 -48.81 71.88 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.084 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD13 ' HB2' ' A' ' 78' ' ' LYS . 1.6 pp -64.57 -32.75 74.53 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' ' 64' ' ' MET . 65.2 mt -68.9 -41.73 77.86 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.351 0.596 . . . . 0.0 110.21 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.8 mt-10 -74.62 -20.35 59.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.001 -174.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 35' ' ' GLU . 51.8 p -63.36 -28.24 69.86 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.897 0.38 . . . . 0.0 111.108 177.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -75.09 -9.59 58.69 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.053 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 60.79 28.29 18.04 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.988 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.577 ' NH1' ' HB2' ' A' ' 65' ' ' GLU . 5.6 ptp180 -114.72 157.47 42.91 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.174 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.39 158.17 54.89 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 0.0 111.767 175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -153.11 163.54 39.67 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.211 0.529 . . . . 0.0 110.557 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 38.2 ttpt -115.51 103.68 10.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.521 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -91.16 120.15 31.86 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.86 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -126.41 140.88 52.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.847 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -109.18 107.98 18.45 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 169.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -74.1 -67.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.995 -173.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 51' ' ' THR . 41.2 t-20 -170.63 157.05 5.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.588 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 t -89.08 145.52 25.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' ASN . 31.9 m -69.27 86.26 0.4 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.268 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 47.0 -82.36 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.411 1.085 . . . . 0.0 113.263 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' SER . 60.1 t30 -82.26 23.94 0.7 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.988 0.423 . . . . 0.0 111.366 -172.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 59.76 20.63 9.41 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.86 -40.1 75.95 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.573 -176.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -132.87 151.04 52.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.926 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -117.99 114.84 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -87.91 112.14 22.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.411 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 99.2 m-85 -105.51 158.1 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.511 173.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -135.92 122.14 20.38 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.1 t -113.09 119.49 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.545 -178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.9 m -107.25 109.31 21.06 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' ' 37' ' ' LEU . 25.8 ptm -134.62 160.49 37.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.577 ' HB2' ' NH1' ' A' ' 42' ' ' ARG . 26.9 mt-10 -73.21 146.02 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 -179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 17.6 m -134.12 127.48 51.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.546 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 36.0 t -81.41 -24.41 36.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -177.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -162.59 176.09 10.74 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.168 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HA ' ' HG2' ' A' ' 72' ' ' ARG . 35.2 tt0 -65.81 -31.07 71.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.4 t -57.1 -42.46 80.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.346 178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -67.94 -48.01 67.1 Favored 'General case' 0 C--O 1.227 -0.131 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.273 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 8.6 ptm180 -59.35 -35.96 74.83 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.599 -177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.433 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 80.6 m-20 -73.04 -43.07 62.46 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.205 179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 38.0 tt0 -57.18 -53.3 59.67 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.176 0.512 . . . . 0.0 110.25 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.487 HG21 ' SD ' ' A' ' 64' ' ' MET . 63.8 mt -58.54 -45.66 90.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.599 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -52.87 -39.24 62.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.128 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.2 mt-30 -71.49 -42.96 67.4 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.232 -177.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.494 ' HB2' HD13 ' A' ' 36' ' ' LEU . 72.9 mttt -64.17 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.687 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 73.2 mt -59.98 -29.16 42.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.992 178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' HG11 ' A' ' 85' ' ' VAL . 22.8 t -84.43 -18.53 35.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 27.6 mt-30 -79.61 7.16 8.85 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.979 -176.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 9.6 mt -78.1 -25.15 47.4 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 26.1 t70 74.39 -36.95 0.34 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.619 0.767 . . . . 0.0 111.273 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.572 ' HE2' HG21 ' A' ' 27' ' ' THR . 26.9 mtpt -68.06 -12.65 61.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.183 0.516 . . . . 0.0 110.444 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 25' ' ' MET . 7.6 p -95.47 135.09 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.609 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.8 m -99.4 -27.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -151.12 128.83 11.55 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.82 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 p -120.59 118.16 29.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.249 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.861 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -108.03 105.08 14.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.69 -17.58 23.21 Favored Glycine 0 N--CA 1.452 -0.285 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.254 1.291 0 CA-C-O 118.165 -0.922 . . . . 0.0 109.324 177.833 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.25 160.38 34.04 Favored Glycine 0 C--O 1.237 0.284 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.994 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -73.42 107.7 5.86 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 22.5 ptp -50.03 129.71 22.53 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.998 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 20.2 Cg_exo -65.81 95.31 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.584 2.19 . . . . 0.0 111.694 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.2 m -79.79 166.08 22.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.299 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.75 151.75 45.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -67.39 131.64 46.1 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER 66.57 95.56 0.06 Allowed 'General case' 0 CA--C 1.53 0.204 0 O-C-N 123.628 0.58 . . . . 0.0 109.914 -172.039 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' H ' ' HE3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -102.85 139.68 20.37 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.793 -179.212 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.87 137.02 78.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.506 2.137 . . . . 0.0 111.76 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.9 m -69.56 110.87 5.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.012 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 mm -84.36 117.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.908 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.9 mm -80.38 113.75 20.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.714 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -102.25 141.27 22.2 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 92.8 Cg_endo -80.3 161.79 84.14 Favored 'Cis proline' 0 C--N 1.351 0.675 0 C-N-CA 123.67 -1.388 . . . . 0.0 112.995 1.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 p -164.93 163.84 20.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.594 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.17 103.39 11.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.839 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -93.8 140.59 29.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -97.92 137.07 37.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.995 0.426 . . . . 0.0 110.842 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 98.5 m-85 -123.18 115.93 22.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.879 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.914 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 14.2 tpt180 -84.19 112.03 19.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.425 HG22 HG21 ' A' ' 79' ' ' ILE . 27.5 t -120.25 140.91 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.183 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.555 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 55.3 mt -133.93 122.15 41.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 172.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 68.9 mtm -126.59 161.68 27.46 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -92.92 12.8 22.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.634 -178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -134.85 140.7 46.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.066 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -82.37 -16.96 47.26 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 110.229 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -87.29 92.99 9.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.656 -178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 4.9 t -103.4 101.19 11.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.894 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 16.9 m -104.33 -60.8 1.53 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.991 177.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -49.37 -42.11 41.14 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.679 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' HB3' ' OG1' ' A' ' 30' ' ' THR . 9.7 tt -61.15 -38.39 86.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.494 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HE3' ' O ' ' A' ' 30' ' ' THR . 10.4 mtmp? -75.04 -38.37 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.632 0.253 . . . . 0.0 110.365 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' SER . 30.7 mm-40 -57.28 -46.79 82.78 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.3 pp -65.18 -31.05 72.04 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 93.9 mt -73.48 -39.93 64.51 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.995 0.426 . . . . 0.0 110.094 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 34' ' ' LYS . 61.3 mm-40 -61.56 -30.53 70.71 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.33 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 p -67.04 -11.79 58.06 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.96 -9.68 42.13 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 54.62 36.62 26.43 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.772 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -129.6 154.92 80.95 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.19 154.41 72.38 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.283 1.989 . . . . 0.0 111.949 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -155.14 149.94 26.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.137 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 56.3 tttp -96.62 103.17 15.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 60.6 tp -86.34 106.23 17.24 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 20.5 mm-40 -109.42 141.41 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.783 -175.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 58' ' ' TYR . 82.2 t80 -111.41 106.81 15.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 166.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 61' ' ' ASN . 75.3 mmtt -84.34 -44.94 13.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.257 -171.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -171.15 164.9 7.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 110.663 -176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.403 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 5.2 t -127.16 146.44 50.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 p -56.99 155.7 7.79 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -63.31 -29.42 70.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.664 0.269 . . . . 0.0 111.13 -175.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.1 p30 -78.54 -10.0 59.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 63.47 28.24 15.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.045 174.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.599 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -102.76 -23.3 13.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.604 176.33 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -116.71 114.75 24.46 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.071 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' PHE . 40.5 m-85 -104.46 123.94 48.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.283 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.2 m -94.87 113.04 24.73 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.046 0.451 . . . . 0.0 111.09 -177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -105.08 163.97 12.16 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.539 176.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.438 ' HB3' ' HE2' ' A' ' 49' ' ' LYS . 6.3 t30 -145.91 123.27 11.63 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 59.4 t -102.16 119.22 50.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.257 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.552 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 15.7 m -113.41 105.74 13.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 174.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.7 ptm -134.66 153.45 51.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 111.075 -173.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -73.13 117.41 14.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.582 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.5 m -105.77 127.57 60.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 174.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 22.1 t -85.46 -22.96 28.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.391 -176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -155.98 -179.07 7.78 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.458 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -83.47 -29.84 27.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.184 -176.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.2 t -63.19 -31.51 72.68 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 75' ' ' ILE . 90.1 mt-10 -69.05 -45.29 70.78 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.831 173.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.473 HH21 ' HA ' ' A' ' 91' ' ' SER . 39.3 ttt180 -54.19 -53.3 55.32 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.73 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -59.67 -35.11 73.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.325 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 28.4 tt0 -68.51 -48.15 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 71' ' ' GLU . 70.1 mt -62.07 -37.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.607 -177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -58.82 -45.03 90.91 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.199 0.523 . . . . 0.0 110.037 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.8 mt-30 -64.04 -43.54 95.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.307 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HB3' HD22 ' A' ' 36' ' ' LEU . 74.1 mmtt -53.09 -47.24 68.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.196 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.0 mt -63.76 -29.8 48.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.879 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 t -80.64 -10.26 59.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.833 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.9 mt-30 -88.1 -9.54 52.95 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt -70.38 -26.62 63.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.749 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.452 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.1 t70 73.02 -34.59 0.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.627 0.58 . . . . 0.0 111.155 -176.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 82' ' ' LEU . 81.7 mttt -68.54 -11.85 60.47 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.382 0.673 . . . . 0.0 111.37 177.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.513 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 14.8 p -84.97 142.13 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.939 -176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -120.4 -2.49 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.555 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.6 tp-100 -159.1 127.65 5.21 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.013 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.6 p -133.1 112.79 12.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.32 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.914 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 5.4 mp -120.74 113.63 20.48 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 174.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.81 7.43 35.98 Favored Glycine 0 C--O 1.235 0.189 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.473 ' HA ' HH21 ' A' ' 72' ' ' ARG . 2.8 p . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.506 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.6 -81.87 0.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.125 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -141.96 145.26 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.3 ptp -80.07 121.52 82.05 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.897 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 61.5 Cg_endo -73.02 97.34 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.426 2.084 . . . . 0.0 110.935 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -57.3 94.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.259 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.1 t70 55.41 34.93 23.98 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.952 175.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 5' ' ' PRO . 27.7 m -76.61 11.96 1.46 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -71.35 138.55 49.33 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.241 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -87.03 147.53 43.06 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -60.76 138.22 78.05 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.573 2.182 . . . . 0.0 112.665 -176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 54.0 m -65.18 114.96 5.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.117 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.8 mm -82.05 139.92 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.448 -177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' N ' HD12 ' A' ' 14' ' ' ILE . 2.0 mp -76.84 126.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.274 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -131.73 137.3 30.02 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.697 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 73.8 Cg_endo -80.2 163.49 82.08 Favored 'Cis proline' 0 C--N 1.351 0.689 0 C-N-CA 123.715 -1.369 . . . . 0.0 112.755 -0.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 51.4 t -172.09 164.9 6.18 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.112 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 62.2 mt -70.68 109.73 5.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.177 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -94.0 128.1 40.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -98.58 124.26 43.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.394 0.616 . . . . 0.0 111.153 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 63.7 m-85 -100.48 135.48 41.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.186 178.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.822 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.5 tpt180 -92.53 109.07 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 172.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.1 t -112.02 131.63 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.111 -176.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.499 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -118.91 107.82 22.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.045 0.45 . . . . 0.0 110.236 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' HG3' HG12 ' A' ' 23' ' ' VAL . 80.6 mtp -115.77 159.2 21.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.98 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 p -96.48 14.63 23.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.51 HG21 ' HE3' ' A' ' 84' ' ' LYS . 11.2 t -138.6 157.28 46.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.87 0.367 . . . . 0.0 111.179 -175.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -97.81 -7.47 30.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.979 173.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.89 100.2 9.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.979 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 30' ' ' THR . 9.1 t -130.41 100.48 5.37 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.857 0.837 . . . . 0.0 110.549 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 35.5 t -98.05 -43.04 7.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.642 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.7 m -54.89 -29.1 55.0 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD13 HD11 ' A' ' 82' ' ' LEU . 39.5 tp -61.07 -45.35 95.11 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.386 178.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -73.85 -33.53 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.2 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 19.0 mm-40 -56.07 -47.73 77.41 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.0 pp -65.55 -30.62 71.39 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 66.1 mt -74.25 -35.66 63.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.62 -25.0 67.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -62.16 -36.55 82.19 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.268 0.556 . . . . 0.0 110.097 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.59 ' HB3' ' HE ' ' A' ' 42' ' ' ARG . 87.9 m-85 -80.95 -27.74 35.93 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.806 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 57.33 31.78 20.7 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.815 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.59 ' HE ' ' HB3' ' A' ' 40' ' ' TYR . 20.4 ptp180 -110.43 150.07 41.11 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.35 137.87 83.58 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.674 2.249 . . . . 0.0 112.015 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -144.52 150.55 37.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 36.3 ttpt -112.41 114.71 27.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 tt -109.12 107.1 17.28 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HG2' ' A' ' 45' ' ' LYS . 13.2 mm-40 -125.04 154.52 41.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.266 -173.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HZ ' ' HB ' ' A' ' 51' ' ' THR . 87.3 t80 -92.99 108.44 20.0 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 68.9 mmtt -74.85 -61.09 2.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.262 -176.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -166.57 170.23 12.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.652 -173.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.4 ' HB ' ' HZ ' ' A' ' 48' ' ' PHE . 9.0 t -142.82 145.98 33.72 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 175.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -57.71 150.5 19.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -53.98 -33.64 57.58 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -76.4 -15.02 60.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.173 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.33 26.61 12.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.472 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -89.33 -36.64 15.42 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.062 0.458 . . . . 0.0 110.118 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -113.3 124.22 51.98 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.206 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -110.79 131.78 54.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.033 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.4 m -100.88 113.32 26.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.65 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -104.9 165.8 10.82 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.318 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 4.9 t30 -124.23 128.67 49.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.582 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 33' ' ' LEU . 72.3 t -116.75 118.45 58.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 172.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 33.0 m -126.41 106.88 9.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.575 ' SD ' HD13 ' A' ' 75' ' ' ILE . 23.4 ptm -135.31 151.93 51.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.199 -177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.05 115.59 8.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.759 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.38 127.86 52.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.521 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 6.6 m -61.75 -44.73 96.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.555 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -164.53 -167.22 1.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.987 176.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' HD21 ' A' ' 73' ' ' ASN . 41.6 tt0 -57.0 -33.72 67.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.681 0.277 . . . . 0.0 111.415 -174.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 t -56.33 -47.6 78.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.96 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 74' ' ' GLU . 11.9 mp0 -66.37 -50.13 64.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.002 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -62.72 -14.89 49.76 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.055 -177.207 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.4 HD21 ' HG2' ' A' ' 69' ' ' GLU . 94.5 m-20 -85.74 -48.15 9.09 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.517 174.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HA ' HE21 ' A' ' 77' ' ' GLN . 13.8 pt-20 -64.62 -44.49 90.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 110.784 -176.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.575 HD13 ' SD ' ' A' ' 64' ' ' MET . 64.1 mt -62.88 -40.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.661 -177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -54.82 -38.45 67.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.434 177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 74' ' ' GLU . 47.5 mt-30 -71.17 -37.18 72.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.706 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 70.4 mmtt -60.23 -37.71 81.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.117 0.485 . . . . 0.0 109.92 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 40.3 mm -60.05 -29.3 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.103 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.1 t -77.3 -19.3 56.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.096 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -83.64 6.13 21.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -172.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 6.1 mt -79.28 -20.66 47.47 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.335 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.8 t70 75.82 -32.87 0.21 Allowed 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.834 0.709 . . . . 0.0 111.661 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' HE3' HG21 ' A' ' 27' ' ' THR . 8.6 mtpp -86.89 6.08 33.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.934 0.397 . . . . 0.0 111.148 -174.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.2 p -104.61 133.11 49.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.454 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -99.13 -33.14 3.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.301 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.499 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.3 tp-100 -139.96 136.79 34.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.7 p -127.75 120.97 29.08 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.319 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.5 mp -115.67 128.35 55.84 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.48 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.5 59.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.254 1.32 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.38 -176.281 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.668 0.27 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.74 32.69 74.48 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.02 -0.61 . . . . 0.0 111.9 -178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -93.55 121.15 34.66 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.442 0.297 . . . . 0.0 110.686 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.6 mmt -83.56 154.58 65.61 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.745 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_exo -52.81 96.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.493 2.129 . . . . 0.0 111.769 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 p -94.35 -48.12 6.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.731 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -109.17 145.23 36.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.476 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -87.1 150.93 23.65 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.61 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 11.2 mmpt? -88.77 149.65 23.33 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mptt 68.15 150.29 0.12 Allowed Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 123.536 0.523 . . . . 0.0 111.704 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.85 141.07 29.79 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.451 2.1 . . . . 0.0 111.846 177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.9 m -84.97 111.47 19.72 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.059 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.3 mm -82.04 141.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 mm -82.67 126.25 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 -175.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -137.7 133.42 17.83 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.774 174.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.1 Cg_exo -79.77 146.35 75.44 Favored 'Cis proline' 0 C--N 1.351 0.704 0 C-N-CA 123.988 -1.255 . . . . 0.0 112.211 -1.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 49.9 t -159.39 173.71 15.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.504 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -81.81 123.53 28.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.627 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.8 t-105 -106.79 141.78 37.48 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.7 119.03 38.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 110.666 -175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -110.91 124.52 52.26 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.022 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.673 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 19.1 tpp85 -98.15 113.01 24.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.1 t -111.5 116.8 53.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -174.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 58.9 mt -106.89 116.47 50.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 85' ' ' VAL . 65.5 mtm -121.33 166.87 13.44 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 -179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -98.72 16.4 22.24 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.16 0.505 . . . . 0.0 111.07 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -135.34 159.01 42.91 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.657 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -90.8 -14.69 31.45 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 170.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -77.79 85.11 4.09 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.4 t -91.78 99.75 12.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.346 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 15.0 m -128.25 -64.38 0.95 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.638 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -49.5 -36.74 23.97 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.155 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 56.3 tp -59.54 -42.33 92.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HA ' HD12 ' A' ' 37' ' ' LEU . 52.5 mtmt -75.25 -34.23 61.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.69 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' THR . 15.2 mm-40 -55.82 -51.2 68.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.79 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 3.9 pp -62.23 -31.04 71.53 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.517 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 64' ' ' MET . 72.1 mt -69.73 -42.65 73.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.971 0.415 . . . . 0.0 110.388 178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -72.18 -23.22 61.24 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.991 -175.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' GLU . 68.7 p -64.37 -21.3 66.58 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.053 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -84.04 -9.05 58.94 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.633 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 60.57 33.06 20.5 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.494 178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD2' ' HE2' ' A' ' 64' ' ' MET . 16.3 ptp180 -123.98 153.78 67.69 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.94 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.85 154.49 70.94 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.456 2.104 . . . . 0.0 112.444 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -148.75 160.2 43.42 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.838 177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.619 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 4.1 tmmm? -117.27 110.75 18.49 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD22 ' HD3' ' A' ' 34' ' ' LYS . 59.2 tp -95.29 134.47 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.94 156.4 42.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.644 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -109.12 135.87 49.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 mmpm? -105.05 -73.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.485 0.184 . . . . 0.0 111.132 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -146.19 167.29 23.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.014 0.435 . . . . 0.0 111.007 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.8 t -131.29 146.88 52.49 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.269 174.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.0 t -62.45 165.03 6.56 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.423 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -56.99 -40.36 76.43 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -91.66 9.62 31.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 110.4 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 57.93 26.13 12.99 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.381 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -28.71 37.5 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -121.75 138.85 54.2 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.235 -178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -123.49 122.11 37.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.664 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.1 m -97.85 114.59 26.69 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.888 0.375 . . . . 0.0 110.754 -179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -105.35 145.07 31.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.547 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -107.05 122.48 46.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.562 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 33' ' ' LEU . 67.1 t -124.83 119.74 56.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 41.8 p -120.73 119.47 32.86 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.614 ' SD ' HD13 ' A' ' 75' ' ' ILE . 25.5 ptm -137.77 162.72 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.396 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.75 143.46 47.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.5 m -134.01 128.11 52.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.218 172.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 28.2 t -85.69 -27.92 25.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -152.6 -179.69 7.82 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.08 0.467 . . . . 0.0 111.312 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -75.02 -28.56 60.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.539 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.1 t -59.22 -39.82 83.89 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.353 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' HA ' ' HB3' ' A' ' 74' ' ' GLU . 79.5 mt-10 -72.68 -27.25 61.97 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -56.13 -45.08 79.69 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 109.502 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 73.6 m-20 -77.91 -38.8 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 71' ' ' GLU . 13.4 tp10 -56.54 -58.68 6.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.974 -178.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.614 HD13 ' SD ' ' A' ' 64' ' ' MET . 65.9 mt -63.14 -35.43 71.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.505 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -55.85 -46.07 78.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.267 175.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' A' ' 81' ' ' GLN . 47.6 mt-30 -63.47 -43.49 97.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.462 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -55.48 -44.62 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.76 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 80.9 mt -62.64 -29.35 46.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.841 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.9 p -85.29 3.21 40.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.817 -0.552 . . . . 0.0 111.728 -178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 21.2 mt-30 -100.28 14.99 29.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.575 0.226 . . . . 0.0 111.135 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 32.9 mt -82.64 -23.0 34.48 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -175.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 22.8 t70 73.36 -47.49 0.66 Allowed 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.656 0.598 . . . . 0.0 110.897 -174.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -63.0 -23.99 67.71 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.212 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 12.5 p -79.01 140.98 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.365 -175.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.16 -22.52 4.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.062 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 6.5 tp-100 -141.89 132.32 25.2 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.81 0.338 . . . . 0.0 110.358 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.52 HG22 HG22 ' A' ' 79' ' ' ILE . 16.4 p -126.92 110.05 12.6 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.091 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.673 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -105.51 105.12 15.02 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 176.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -114.86 -0.21 22.89 Favored Glycine 0 C--O 1.23 -0.15 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.227 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.248 1.026 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 -179.055 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.648 0.261 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 98.65 79.28 1.45 Allowed Glycine 0 C--N 1.333 0.397 0 C-N-CA 121.171 -0.537 . . . . 0.0 111.865 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -102.44 137.68 40.36 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.652 0.263 . . . . 0.0 110.504 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 4' ' ' MET . 3.2 mpp? -111.15 159.52 32.45 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.387 -177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.79 164.03 8.37 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.653 2.235 . . . . 0.0 111.916 175.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -84.12 -168.47 2.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.509 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.06 -40.52 97.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.97 0.414 . . . . 0.0 110.661 -177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.9 p -141.9 -25.74 0.67 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.958 177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.51 139.94 51.72 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.604 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.2 mmpt? 66.35 78.14 0.26 Allowed Pre-proline 0 CA--C 1.533 0.294 0 O-C-N 123.793 0.683 . . . . 0.0 110.776 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.48 166.22 29.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.875 2.383 . . . . 0.0 111.646 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.6 m -93.56 110.91 22.49 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.0 mm -101.92 131.2 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.667 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mm -94.07 113.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.435 -178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -98.75 151.77 37.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.071 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.59 155.22 76.3 Favored 'Cis proline' 0 C--N 1.351 0.666 0 C-N-CA 124.374 -1.094 . . . . 0.0 112.297 -1.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 45.8 t -160.8 158.96 29.36 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.568 -178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.72 103.84 1.5 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.887 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -96.74 141.92 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -95.36 130.78 42.03 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.051 0.453 . . . . 0.0 111.418 -176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -124.26 109.49 13.45 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.664 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.809 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 12.6 tpp85 -88.24 113.91 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG22 HG21 ' A' ' 79' ' ' ILE . 35.8 t -107.35 129.52 61.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.456 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 61.9 mt -121.44 112.52 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 65.7 mtm -119.56 171.82 8.09 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.381 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.6 p -95.74 19.24 11.57 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.097 0.475 . . . . 0.0 111.019 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.482 HG21 ' HD3' ' A' ' 84' ' ' LYS . 15.0 t -148.06 161.9 40.46 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -91.15 -10.74 40.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.753 170.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -77.63 86.3 3.95 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.828 -177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.516 ' O ' ' HE2' ' A' ' 34' ' ' LYS . 4.1 t -94.98 99.72 11.69 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 174.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.441 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 32.5 t -124.77 -62.65 1.23 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.106 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.453 ' HB ' HD22 ' A' ' 82' ' ' LEU . 5.5 m -49.06 -36.49 18.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.771 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 52.0 tp -58.59 -49.43 77.48 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.347 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 30' ' ' THR . 51.6 mtmt -63.17 -45.74 90.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 31' ' ' SER . 24.4 mm-40 -52.44 -51.18 60.57 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.269 -174.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 78' ' ' LYS . 3.6 pp -66.08 -31.05 71.69 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.644 -177.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 80.0 mt -70.56 -40.3 73.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.069 0.462 . . . . 0.0 110.438 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 37.0 mt-10 -72.18 -19.69 61.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.834 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 35' ' ' GLU . 81.0 p -64.1 -26.42 68.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.809 0.337 . . . . 0.0 110.586 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -75.91 -8.06 56.03 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.382 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 64.41 19.4 11.78 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.513 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD2' ' SD ' ' A' ' 64' ' ' MET . 4.7 ptp180 -113.14 153.88 45.28 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.415 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.75 156.67 44.13 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.527 2.151 . . . . 0.0 111.543 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.88 154.9 41.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.699 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.572 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -98.62 107.13 19.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.683 178.103 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 tp -102.26 119.61 39.1 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -138.81 142.14 38.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.849 0.357 . . . . 0.0 111.297 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.99 121.05 29.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 170.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 11.3 mmpt? -85.63 -63.34 1.34 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.749 -177.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -171.92 159.31 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.367 -177.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -87.04 147.28 25.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 22.9 t -58.28 -179.61 0.06 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.123 0.487 . . . . 0.0 111.241 -178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -62.32 -19.22 63.09 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 109.315 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -124.41 138.1 54.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.069 169.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.73 -6.95 1.96 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.566 0.346 . . . . 0.0 111.817 -177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -54.52 -32.81 58.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.505 ' HB2' ' HB2' ' A' ' 52' ' ' SER . 61.4 m-85 -122.32 142.08 50.86 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.014 0.435 . . . . 0.0 111.282 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -123.44 136.0 54.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.302 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.3 m -106.6 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.014 0.435 . . . . 0.0 111.294 -176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -105.48 165.67 10.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.716 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -136.27 129.66 31.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.011 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 45' ' ' LYS . 89.0 t -119.0 118.82 58.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.81 176.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 17.8 m -118.31 106.96 13.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.566 ' SD ' ' HD2' ' A' ' 42' ' ' ARG . 3.9 ptp -127.16 158.65 36.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.824 0.345 . . . . 0.0 110.684 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -79.39 108.77 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.875 178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.8 m -88.73 130.07 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.12 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 t -60.96 -47.49 86.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.212 -175.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.4 p30 -155.94 -178.51 7.35 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.95 0.405 . . . . 0.0 111.442 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -68.61 -31.48 70.68 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.615 -173.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.3 t -71.21 -46.62 60.8 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.786 -178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' HG13 ' A' ' 75' ' ' ILE . 38.1 tt0 -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.901 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.56 -46.16 73.61 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.342 177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -63.43 -39.18 93.79 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.468 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' HA ' HE21 ' A' ' 77' ' ' GLN . 27.6 tt0 -63.78 -50.76 67.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.904 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.483 HD13 ' SD ' ' A' ' 64' ' ' MET . 73.9 mt -56.31 -41.42 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -54.22 -43.71 71.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.073 0.463 . . . . 0.0 110.506 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 74' ' ' GLU . 43.9 mt-30 -68.95 -41.64 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.648 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB3' HD13 ' A' ' 36' ' ' LEU . 34.6 mmtp -58.48 -43.69 89.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.763 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.624 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.6 mt -62.82 -29.72 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.606 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.45 ' HA ' HG11 ' A' ' 85' ' ' VAL . 43.4 p -85.29 9.8 14.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.097 -0.377 . . . . 0.0 111.76 -179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -99.22 11.96 37.55 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.234 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 14.3 mt -77.08 -24.6 51.85 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 71.92 -42.32 0.53 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.84 0.856 . . . . 0.0 111.085 -175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.482 ' HD3' HG21 ' A' ' 27' ' ' THR . 16.2 ptpt -71.27 -5.88 35.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.076 0.465 . . . . 0.0 110.92 175.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.2 p -91.66 139.55 17.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.408 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.21 -23.78 4.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.401 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -151.34 136.74 17.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -129.35 129.47 44.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.027 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.9 mm? -114.13 104.71 12.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 -3.71 47.56 Favored Glycine 0 N--CA 1.454 -0.146 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.305 -0.855 . . . . 0.0 109.773 179.132 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.7 0.286 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.22 150.78 7.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.998 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -125.67 146.01 49.91 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.6 mtm -87.14 131.61 44.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -48.91 100.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.869 2.379 . . . . 0.0 112.686 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -122.7 95.94 4.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.624 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -79.09 112.18 16.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.739 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 t -156.59 131.53 9.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.404 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.624 ' HA ' ' HE3' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -59.82 102.75 0.17 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.718 -177.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 31.4 mmtp -61.95 137.16 95.38 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.77 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.5 121.83 9.34 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.515 2.144 . . . . 0.0 111.923 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.5 m -75.91 110.8 10.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.402 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mm -90.56 137.75 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.242 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -89.74 103.35 14.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.669 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -94.22 145.62 30.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.523 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 6.0 Cg_exo -79.79 154.78 88.02 Favored 'Cis proline' 0 C--N 1.353 0.776 0 C-N-CA 124.469 -1.055 . . . . 0.0 112.488 -0.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 47.8 t -163.07 161.31 25.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.862 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.25 122.39 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.618 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.0 t-105 -117.46 145.54 44.1 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -91.38 131.59 36.76 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.115 0.483 . . . . 0.0 111.239 -178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' ' HA ' ' A' ' 72' ' ' ARG . 91.2 m-85 -121.77 114.81 21.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.615 176.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.845 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 17.3 tpp85 -85.86 112.38 21.08 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 25' ' ' MET . 40.7 t -113.23 110.92 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.418 -177.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.434 ' HB ' ' HB3' ' A' ' 87' ' ' GLN . 57.1 mt -101.94 112.06 33.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.555 ' SD ' ' HG3' ' A' ' 84' ' ' LYS . 70.6 mtm -121.53 162.88 19.78 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.388 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 p -93.89 13.46 22.59 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.888 -178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.579 HG21 ' HD3' ' A' ' 84' ' ' LYS . 13.1 t -130.34 161.9 30.26 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 -176.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -95.51 -15.32 22.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.725 172.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -81.82 80.96 7.99 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.276 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.9 t -79.25 100.11 7.37 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.576 0.703 . . . . 0.0 109.188 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 35' ' ' GLU . 9.3 p -122.93 -73.6 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.452 -177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -49.26 -36.02 19.27 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 55.8 tp -57.36 -46.9 82.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.827 179.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HA ' HD12 ' A' ' 37' ' ' LEU . 54.6 mtmt -75.8 -33.83 60.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.815 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 31' ' ' SER . 42.4 mt-10 -58.6 -43.4 89.54 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 33' ' ' LEU . 4.1 pp -68.01 -31.36 70.98 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.893 0.378 . . . . 0.0 110.308 -179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 34' ' ' LYS . 67.3 mt -65.66 -40.97 93.01 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.245 0.545 . . . . 0.0 109.679 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 45.9 mt-10 -65.43 -31.19 72.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.547 -177.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -64.66 -21.44 66.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.825 0.345 . . . . 0.0 111.271 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 93.6 m-85 -83.38 -9.78 58.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.569 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 62.18 24.36 14.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.266 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' NE ' ' HB3' ' A' ' 40' ' ' TYR . 17.6 ptp180 -119.7 147.12 43.16 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.181 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.41 162.98 38.35 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.602 2.201 . . . . 0.0 112.576 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -155.29 172.49 18.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.99 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.611 ' HB3' ' OG ' ' A' ' 63' ' ' SER . 5.1 ttpm? -127.33 112.32 14.9 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 174.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -88.52 124.79 34.35 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 61' ' ' ASN . 44.3 mt-10 -125.65 143.8 50.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.747 0.308 . . . . 0.0 111.684 -178.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -110.72 107.91 17.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 167.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.7 -60.85 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.466 -173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -167.37 163.77 15.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.682 -178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.512 ' OG1' ' HA ' ' A' ' 55' ' ' ALA . 13.7 t -98.65 136.21 39.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' ASN . 30.9 t -72.79 83.99 1.2 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.395 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.6 mttm 47.26 -80.16 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 112.885 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 52' ' ' SER . 65.9 m-20 -77.23 6.25 7.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.133 -176.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HA ' ' OG1' ' A' ' 51' ' ' THR . . . 63.73 19.87 11.94 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -76.78 -35.84 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.246 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -121.69 148.67 44.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.855 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.42 125.71 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.9 p -94.42 112.41 24.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.874 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -105.54 158.7 16.49 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 8.9 t30 -138.4 132.01 30.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.63 118.54 59.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.097 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.611 ' OG ' ' HB3' ' A' ' 45' ' ' LYS . 78.6 p -105.58 106.87 17.56 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 172.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.493 ' SD ' HD13 ' A' ' 75' ' ' ILE . 26.5 ptm -129.11 160.17 33.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.248 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.4 136.76 47.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.8 m -124.0 126.79 73.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 170.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 21.0 t -84.07 -23.39 30.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.174 0.511 . . . . 0.0 109.891 -177.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -157.63 178.33 10.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.896 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 23.2 tt0 -85.95 -17.8 34.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.535 -175.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.5 m -63.4 -40.75 98.06 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 174.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -67.17 -37.23 83.39 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.913 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HA ' ' OH ' ' A' ' 21' ' ' TYR . 76.3 ttt180 -54.58 -34.21 61.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.131 0.491 . . . . 0.0 110.327 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 77' ' ' GLN . 87.7 m-20 -85.19 -42.47 14.68 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.699 177.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 26.0 tt0 -58.34 -50.12 74.78 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.056 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.497 ' O ' HG13 ' A' ' 79' ' ' ILE . 79.5 mt -58.94 -40.06 79.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.372 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -56.69 -42.06 78.43 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 73' ' ' ASN . 52.0 mt-30 -68.66 -36.96 79.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.372 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 74' ' ' GLU . 74.8 mmtt -59.01 -41.9 88.83 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.158 0.504 . . . . 0.0 109.815 176.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.613 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 77.5 mt -60.88 -28.99 44.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.929 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -75.78 -19.39 59.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 77' ' ' GLN . 25.7 mt-30 -84.04 0.58 47.63 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -75.42 -22.22 57.56 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.994 -0.283 . . . . 0.0 110.46 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t70 72.55 -31.18 0.22 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.277 0.631 . . . . 0.0 111.712 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HD3' HG21 ' A' ' 27' ' ' THR . 0.1 OUTLIER -88.86 4.2 48.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.416 0.686 . . . . 0.0 111.336 -178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' HG2' ' A' ' 25' ' ' MET . 11.3 p -92.23 137.65 21.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.444 -178.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.2 m -112.31 -15.33 10.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 -178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.434 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.8 tp-100 -156.09 131.19 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.682 0.277 . . . . 0.0 110.475 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.456 HG22 HG22 ' A' ' 79' ' ' ILE . 47.6 p -121.89 122.68 39.96 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.829 -177.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.845 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 4.8 mp -120.31 109.76 15.76 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.22 -1.59 18.55 Favored Glycine 0 C--N 1.332 0.309 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.052 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.243 0.757 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.881 178.426 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.36 62.72 4.03 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.317 -0.468 . . . . 0.0 112.293 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -141.86 128.13 19.86 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 65.7 mtt -60.44 126.64 85.07 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 4' ' ' MET . 50.1 Cg_exo -56.33 -16.07 16.72 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.098 2.532 . . . . 0.0 113.359 -174.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m 64.89 35.57 8.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.067 0.46 . . . . 0.0 111.289 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.78 95.31 4.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.5 p -140.66 95.62 2.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.106 0.479 . . . . 0.0 111.113 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -114.35 -167.8 1.27 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 10' ' ' LYS . 8.5 mmpt? 73.62 137.25 0.05 OUTLIER Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.227 0.611 . . . . 0.0 110.934 178.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.14 121.52 9.4 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.534 2.156 . . . . 0.0 112.062 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -74.34 128.11 34.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.511 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.5 mm -100.84 133.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.855 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mm -84.34 93.8 3.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.923 0.392 . . . . 0.0 110.552 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -76.88 138.57 65.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.584 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 2.9 Cg_endo -81.78 145.56 64.0 Favored 'Cis proline' 0 C--N 1.35 0.643 0 C-N-CA 124.261 -1.141 . . . . 0.0 112.614 0.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 18' ' ' LEU . 43.3 t -154.11 169.07 24.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.377 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.464 ' N ' ' SG ' ' A' ' 17' ' ' CYS . 79.1 mt -79.65 141.36 36.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.946 177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -129.76 139.18 51.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -97.69 129.27 44.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.228 0.33 . . . . 0.0 110.398 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.468 ' HB2' ' HB ' ' A' ' 62' ' ' VAL . 76.0 m-85 -117.04 114.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.839 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.4 tpp180 -79.42 109.1 13.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 25' ' ' MET . 49.0 t -111.66 111.7 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.728 -176.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.38 109.84 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.296 -178.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.463 ' HG3' HG12 ' A' ' 23' ' ' VAL . 84.2 mtp -120.23 159.03 25.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.481 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 p -97.19 16.58 19.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.676 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.4 t -136.87 132.57 34.74 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HB2' ' NZ ' ' A' ' 28' ' ' LYS . 9.9 mtmp? -72.36 -19.99 61.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.664 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -99.75 83.67 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.355 0.598 . . . . 0.0 110.243 -178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 t -90.04 125.96 35.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.26 175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 -53.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.406 ' HB ' HD22 ' A' ' 82' ' ' LEU . 8.8 m -52.25 -33.86 43.49 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.141 0.496 . . . . 0.0 110.54 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 66.5 tp -59.28 -45.0 92.43 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.344 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' HD12 ' A' ' 37' ' ' LEU . 57.6 mtmt -74.92 -31.51 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -61.76 -47.0 87.19 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.103 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 78' ' ' LYS . 4.5 pp -66.02 -30.67 71.26 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.89 0.376 . . . . 0.0 110.396 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' ' 64' ' ' MET . 75.5 mt -70.49 -37.31 74.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.243 0.544 . . . . 0.0 109.749 175.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.33 -30.83 71.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.472 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.1 p -69.03 -17.72 63.94 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 111.543 0.201 . . . . 0.0 111.543 -177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -77.86 -14.58 59.52 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.102 0.477 . . . . 0.0 109.8 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 59.23 24.82 13.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.335 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 65' ' ' GLU . 11.0 ptp180 -113.82 152.4 45.56 Favored Pre-proline 0 C--O 1.236 0.344 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.68 148.46 77.8 Favored 'Trans proline' 0 C--O 1.237 0.471 0 C-N-CA 122.298 1.999 . . . . 0.0 112.163 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -155.31 151.08 27.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 63' ' ' SER . 34.2 ttpt -104.19 120.83 42.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.863 178.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -102.21 109.95 21.77 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' ' 61' ' ' ASN . 13.2 pt-20 -123.61 128.69 50.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.414 . . . . 0.0 111.005 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -83.45 110.75 18.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.485 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 8.9 mmpt? -64.38 -67.59 0.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.145 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -178.89 164.05 1.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.802 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -99.37 146.34 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -50.98 153.89 1.68 Allowed 'General case' 0 C--O 1.235 0.316 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -63.85 -30.4 71.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.039 0.447 . . . . 0.0 110.369 -177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -84.68 0.43 50.42 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.696 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 60.76 22.99 12.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.812 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -82.01 -43.91 17.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.122 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CD1' HG21 ' A' ' 86' ' ' VAL . 36.2 m-85 -118.44 139.9 50.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.653 -177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -107.92 117.68 34.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.6 m -93.37 112.44 24.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.351 -174.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -104.57 166.19 10.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.171 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' HB3' ' HG3' ' A' ' 47' ' ' GLU . 8.0 t30 -141.33 126.31 18.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.765 0.317 . . . . 0.0 110.383 177.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.468 ' HB ' ' HB2' ' A' ' 21' ' ' TYR . 84.2 t -101.59 119.93 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.213 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.463 ' HB2' ' HB3' ' A' ' 45' ' ' LYS . 8.7 m -112.96 106.19 14.41 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.63 ' SD ' HD13 ' A' ' 75' ' ' ILE . 24.7 ptm -134.58 161.19 35.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.588 0.232 . . . . 0.0 110.898 -175.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.638 ' HB2' HH11 ' A' ' 42' ' ' ARG . 36.6 mt-10 -74.97 138.55 42.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.057 177.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.3 126.95 68.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 170.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.59 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 27.8 t -88.51 -30.87 19.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.335 0.588 . . . . 0.0 109.602 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.493 ' OD1' ' HB3' ' A' ' 70' ' ' SER . 9.0 p30 -139.45 178.36 7.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.556 177.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -86.84 -24.71 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.459 -176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.493 ' HB3' ' OD1' ' A' ' 68' ' ' ASN . 24.4 t -59.64 -37.76 79.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.76 -46.37 82.42 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.833 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -54.0 -37.26 63.84 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -74.2 -47.75 33.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.417 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -60.02 -49.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.364 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.63 HD13 ' SD ' ' A' ' 64' ' ' MET . 70.3 mt -56.15 -43.41 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.525 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -55.33 -40.41 71.15 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.412 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -71.07 -42.25 69.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.492 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.539 ' HB3' HD22 ' A' ' 36' ' ' LEU . 71.2 mmtt -55.37 -43.89 75.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.584 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 74.4 mt -59.33 -29.27 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.44 ' HA ' HG11 ' A' ' 85' ' ' VAL . 42.1 t -73.95 -29.81 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.966 0.412 . . . . 0.0 110.699 -178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.14 3.7 2.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.329 -172.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 12.1 mt -83.28 -26.29 30.81 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 122.513 -0.117 . . . . 0.0 110.746 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 21.7 t70 71.92 -35.18 0.32 Allowed 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.771 0.67 . . . . 0.0 111.391 -175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 82' ' ' LEU . 20.2 mttp -69.7 -10.17 57.25 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.432 0.693 . . . . 0.0 111.604 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' ' 80' ' ' SER . 8.4 p -89.73 132.31 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.457 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.425 HG21 ' CD1' ' A' ' 57' ' ' PHE . 32.6 m -99.99 -23.78 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.572 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -161.22 142.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.863 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 t -141.82 140.37 32.95 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 3.0 mm? -121.15 105.94 11.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.819 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -115.79 41.11 2.22 Favored Glycine 0 CA--C 1.509 -0.289 0 N-CA-C 110.681 -0.967 . . . . 0.0 110.681 177.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.251 1.148 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.592 -177.197 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 . . . . . 0 N--CA 1.484 1.239 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.9 -33.44 46.07 Favored Glycine 0 C--N 1.333 0.414 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -127.18 151.1 49.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.497 ' HB2' ' HD2' ' A' ' 5' ' ' PRO . 22.0 ptp -130.32 162.56 53.6 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 174.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HD2' ' HB2' ' A' ' 4' ' ' MET . 27.2 Cg_endo -61.31 -179.64 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.483 0 C-N-CA 122.075 1.85 . . . . 0.0 111.874 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 p -63.9 84.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.32 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -141.09 159.07 42.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.476 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.7 m -108.22 24.43 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.29 176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -67.47 139.26 57.04 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.264 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 10.3 mptt 58.15 77.08 0.42 Allowed Pre-proline 0 N--CA 1.47 0.528 0 O-C-N 123.402 0.439 . . . . 0.0 110.94 -175.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -67.76 136.65 39.51 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.64 2.227 . . . . 0.0 112.121 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.7 m -68.94 110.79 4.59 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.466 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.2 mm -86.85 129.08 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.483 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.6 mm -90.55 127.13 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.16 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -111.28 150.2 41.69 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.441 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HB3' ' HA ' ' A' ' 67' ' ' SER . 72.2 Cg_endo -81.06 158.15 83.83 Favored 'Cis proline' 0 C--N 1.353 0.789 0 C-N-CA 123.661 -1.391 . . . . 0.0 112.81 -3.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -164.69 170.68 15.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.212 -178.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 74.9 mt -79.46 108.79 13.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -95.14 147.31 23.58 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -116.83 119.63 35.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -172.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -108.06 130.87 55.06 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.842 ' HB3' ' HB2' ' A' ' 89' ' ' LEU . 5.6 tpp180 -94.66 109.67 21.58 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -107.18 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.649 -175.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mt -95.13 115.42 33.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 80.1 mtp -120.19 156.28 31.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.349 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.7 p -93.36 27.05 2.69 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.313 0.578 . . . . 0.0 110.745 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -155.75 157.83 37.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.206 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HA ' ' HZ ' ' A' ' 60' ' ' PHE . 56.0 mtmt -102.62 7.56 39.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 109.878 174.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -84.05 87.97 7.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.309 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 t -105.63 101.3 10.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.802 0.81 . . . . 0.0 110.85 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' GLU . 47.5 t -138.34 -54.35 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.707 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.1 m -48.29 -36.58 14.44 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.938 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 82' ' ' LEU . 53.7 tp -61.44 -45.48 94.12 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.952 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 53.6 mtmt -72.17 -38.33 69.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -177.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 31' ' ' SER . 25.5 mm-40 -52.53 -50.84 62.06 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.145 -177.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.81 -31.43 72.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.721 -177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD22 ' SD ' ' A' ' 64' ' ' MET . 82.4 mt -68.15 -39.35 82.67 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.143 0.497 . . . . 0.0 110.302 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 41.6 mt-10 -72.23 -20.13 61.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.821 -175.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.3 p -61.3 -27.02 68.18 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.092 0.472 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.538 ' HB2' ' HG2' ' A' ' 42' ' ' ARG . 78.4 m-85 -78.97 -9.43 59.52 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.948 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 61.35 17.37 8.25 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.938 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' A' ' 65' ' ' GLU . 9.8 ptp180 -107.37 150.53 40.14 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.905 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.11 159.47 53.74 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.608 2.206 . . . . 0.0 112.356 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -157.31 151.34 24.62 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.258 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -111.44 112.92 25.01 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -105.02 124.99 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.135 -179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -141.9 143.34 33.25 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.264 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -88.38 109.97 20.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.596 ' HG2' ' HB2' ' A' ' 61' ' ' ASN . 30.7 mmtp -72.7 -66.18 0.7 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.716 -175.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -166.33 142.15 4.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.688 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -95.63 132.64 40.58 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -57.63 157.29 7.26 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -57.36 -30.34 64.77 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -68.26 -19.24 64.7 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.977 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 65.35 13.88 9.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.247 0.619 . . . . 0.0 111.341 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -93.24 -28.75 16.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.344 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -112.99 107.32 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.351 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -98.37 118.87 36.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.675 178.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.8 m -95.12 115.97 28.12 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.976 0.417 . . . . 0.0 111.526 -176.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.42 ' HZ ' ' HA ' ' A' ' 28' ' ' LYS . 97.8 m-85 -103.99 164.41 11.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.44 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.596 ' HB2' ' HG2' ' A' ' 49' ' ' LYS . 3.5 t30 -132.49 125.75 31.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.134 -175.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.66 118.45 57.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -118.27 107.53 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 176.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.541 ' SD ' HD22 ' A' ' 37' ' ' LEU . 18.7 ptm -135.76 151.04 49.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.235 -172.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.603 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 41.5 mt-10 -73.95 116.27 14.37 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.464 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.1 m -97.85 126.75 50.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.55 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 16.9 m -64.63 -40.13 94.92 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -176.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.49 ' OD1' ' HG2' ' A' ' 71' ' ' GLU . 35.0 p-10 -163.35 -175.26 4.15 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.675 -176.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.39 -44.29 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.73 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.0 m -53.1 -51.62 61.3 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.213 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.49 ' HG2' ' OD1' ' A' ' 68' ' ' ASN . 18.2 mm-40 -59.03 -44.32 91.74 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.516 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -30.54 69.41 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.403 -174.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -88.67 -43.03 11.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -57.44 -52.72 64.24 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.188 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 79' ' ' ILE . 78.7 mt -55.97 -40.79 64.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.661 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.09 -49.68 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.25 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -60.12 -35.66 75.74 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.925 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -70.25 -37.96 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.813 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 70.2 mt -64.72 -29.98 48.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.565 ' HA ' HG11 ' A' ' 85' ' ' VAL . 19.8 p -85.15 8.66 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -92.63 -2.37 56.15 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -66.19 -24.84 66.7 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.286 -174.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 82' ' ' LEU . 23.0 t70 73.71 -37.18 0.36 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.64 0.588 . . . . 0.0 110.705 -175.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 82' ' ' LEU . 72.0 mttt -70.78 -21.22 62.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.971 174.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 80' ' ' SER . 7.8 p -78.11 135.53 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.356 -178.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.1 p -106.63 -25.45 3.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 -176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.7 tp60 -158.81 123.56 4.15 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.792 0.33 . . . . 0.0 110.961 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.3 p -110.36 127.83 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.491 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.842 ' HB2' ' HB3' ' A' ' 22' ' ' ARG . 2.4 mm? -116.47 126.48 53.45 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 176.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -95.52 -45.98 2.85 Favored Glycine 0 N--CA 1.452 -0.279 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.254 1.304 0 CA-C-O 118.755 -0.641 . . . . 0.0 110.222 179.319 . . . . . . . . 0 0 . 1 stop_ save_